SCHEMBL4100968

SCHEMBL4100968

CC(C)N1CCCC1(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
PARP1 P09874 1/20 0.41
OPRM1 P35372 5/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
KCNH2 Q12809 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
CYP2B6 P20813 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
PRCP P42785 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL19459110 0.83 SLC6A4 (0.42) PARP1OPRK1KCNH2SLC6A2SLC6A4
SCHEMBL4106374 0.81 SLC6A3 (0.40) CYP2D6PARP1OPRM1OPRD1OPRK1
SCHEMBL18812549 0.77 OPRM1 (0.46) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL4296257 0.76 OPRM1 (0.44) CYP2D6PARP1OPRM1OPRD1GRIN1
SCHEMBL8218700 0.75 CYP2D6 (0.47) CYP2D6PARP1OPRM1OPRD1OPRK1
SCHEMBL26206626 0.73 CYP2D6 (0.42) CYP2D6PARP1OPRM1OPRD1OPRK1
SCHEMBL29185211 0.73 HSD11B1 (0.41) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL8552014 0.72 GRIN2D (0.48) CYP2D6OPRM1OPRD1GRIN1GRIN2A
SCHEMBL16474300 0.71 OPRM1 (0.44) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL665626 0.70 PARP1 (0.60) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2023-07-27 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-10005783-B2 Method of treatment using substituted pyrazolo[1,5-a] pyrimidine compounds ARRAY BIOPHARMA INC. (US) 2018-06-26 US disclosed
US-10005783-B2 Method of treatment using substituted pyrazolo[1,5-a] pyrimidine compounds ARRAY BIOPHARMA INC. (US) 2018-06-26 US disclosed
US-20180127427-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC. 2018-05-10 US disclosed
US-9795611-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds ARRAY BIOPHARMA, INC. (US) 2017-10-24 US disclosed
US-9796723-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds ARRAY BIOPHARMA, INC. (US) 2017-10-24 US disclosed
US-9796724-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-10-24 US disclosed
US-9796723-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds ARRAY BIOPHARMA, INC. (US) 2017-10-24 US disclosed
US-9782415-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-10-10 US disclosed
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-05-03 US disclosed
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 US disclosed
US-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-11 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
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-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

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

For each of this compound's patents that has machine-readable text (10 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 CYP2D6 2024/4885PARP1 1825/4885OPRM1 4080/4885
US-10011604-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds COL2A1, COL1A1, IFNAR1 CYP2D6 1257/4885PARP1 3377/4885OPRM1 218/4885
US-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors PDXK, DTYMK, TNNI3K CYP2D6 2875/4885PARP1 732/4885OPRM1 3096/4885
US-20180127427-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 CYP2D6 1095/4885PARP1 1153/4885OPRM1 916/4885
US-10005783-B2 Method of treatment using substituted pyrazolo[1,5-a] pyrimidine compounds TYMP, TYMS, P2RX7 CYP2D6 1095/4885PARP1 1153/4885OPRM1 916/4885
US-20110166122-A1 SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS NTRK1, NTRK3, NTRK2 CYP2D6 2634/4885PARP1 1570/4885OPRM1 2018/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF CYP2D6 2006/4885PARP1 1311/4885OPRM1 2806/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 CYP2D6 983/4885PARP1 2641/4885OPRM1 2369/4885
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, TK1 CYP2D6 1155/4885PARP1 1250/4885OPRM1 1739/4885
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS FRK, TXK, TNNI3K CYP2D6 2833/4885PARP1 890/4885OPRM1 1056/4885

“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.