SCHEMBL4095157

SCHEMBL4095157

CC(C)N1CCNCC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP2D6 P10635 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC18A3 Q16572 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
MEN1 O00255 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18913743 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6TAAR1
SCHEMBL18914200 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6TAAR1
SCHEMBL10651948 0.87 CYP2D6 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6TAAR1
Hydrochloric Acid SCHEMBL11447340 0.86 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6TAAR1
SCHEMBL4096655 0.83 RIPK1 (0.40) HTR2AHTR2CHTR2B
SCHEMBL20877824 0.82 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6TAAR1
SCHEMBL27994808 0.82 MEN1 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6TAAR1
SCHEMBL11706939 0.81 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6TAAR1
SCHEMBL9816195 0.80 SLC18A3 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6TAAR1
SCHEMBL22213822 0.78 BACE1 (0.35) SLC6A2SLC6A4SLC6A3CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402124-A Aryl sulfonamide compound and anti-influenza application thereof 中国医学科学院医药生物技术研究所 2024-01-16 CN disclosed
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2023-07-27 US disclosed
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2023-07-27 US disclosed
EP-3380469-B1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2022-03-16 EP disclosed
US-11028079-B2 Small molecule BET bromodomain inhibitors and uses thereof CONVERGENE, LLC (US) 2021-06-08 US disclosed
US-20210002287-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC. 2021-01-07 US disclosed
US-10758542-B2 Substituted pyrazolo[l,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-09-01 US disclosed
US-20200223836-A1 SMALL MOLECULE BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC 2020-07-16 US disclosed
US-20190169193-A1 Method of Treatment Using Substituted Imidazo[1,2b]Pyridazine Compounds ARRAY BIOPHARMA INC. 2019-06-06 US disclosed
US-10011604-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds ARRAY BIOPHARMA, INC. (US) 2018-07-03 US disclosed
US-20110166122-A1 SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2011-07-07 US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 US disclosed
WO-2010048314-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-04-29 WO disclosed
WO-2010033941-A1 SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-03-25 WO disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 SLC6A2 2034/4885SLC6A4 2515/4885SLC6A3 2089/4885
US-10011604-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds COL2A1, COL1A1, IFNAR1 SLC6A2 3497/4885SLC6A4 4406/4885SLC6A3 4060/4885
US-20190169193-A1 Method of Treatment Using Substituted Imidazo[1,2b]Pyridazine Compounds COL2A1, COL1A1, IFNAR1 SLC6A2 3497/4885SLC6A4 4406/4885SLC6A3 4060/4885
US-20110166122-A1 SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS NTRK1, NTRK3, NTRK2 SLC6A2 3457/4885SLC6A4 3384/4885SLC6A3 3396/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF SLC6A2 1921/4885SLC6A4 2731/4885SLC6A3 2248/4885
US-11028079-B2 Small molecule BET bromodomain inhibitors and uses thereof BRDT, BRD4, BRD3 SLC6A2 4726/4885SLC6A4 4768/4885SLC6A3 4667/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 SLC6A2 1951/4885SLC6A4 3478/4885SLC6A3 2417/4885
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, TK1 SLC6A2 3321/4885SLC6A4 3589/4885SLC6A3 3609/4885
US-20210002287-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 SLC6A2 3227/4885SLC6A4 3704/4885SLC6A3 3450/4885
US-20200223836-A1 SMALL MOLECULE BET BROMODOMAIN INHIBITORS AND USES THEREOF BRDT, BRD4, BRD3 SLC6A2 4726/4885SLC6A4 4768/4885SLC6A3 4667/4885
US-10758542-B2 Substituted pyrazolo[l,5-a]pyrimidine compounds as Trk kinase inhibitors LTK, TXK, FRK SLC6A2 3974/4885SLC6A4 3081/4885SLC6A3 3583/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.