SCHEMBL10111450

SCHEMBL10111450

CC(C)N1CCCC2(CCN(C(C)C)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 15/20 0.39
CYP3A4 P08684 13/20 0.39
CYP1A2 P05177 10/20 0.39
TSHR P16473 9/20 0.39
CYP2C19 P33261 8/20 0.39
HRH3 Q9Y5N1 1/20 0.38
USP2 O75604 11/20 0.36
CYP2C9 P11712 10/20 0.36
MAPK1 P28482 2/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.34
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14524120 0.95 HRH3 (0.36) CYP2D6CYP3A4CYP1A2TSHRCYP2C19
SCHEMBL10111444 0.93 CYP2D6 (0.39) CYP2D6CYP3A4CYP1A2TSHRCYP2C19
SCHEMBL24789561 0.91 HRH3 (0.35) CYP2D6CYP3A4CYP1A2TSHRCYP2C19
SCHEMBL10111441 0.91 CYP2D6 (0.39) CYP2D6CYP3A4CYP1A2TSHRCYP2C19
SCHEMBL12911788 0.88 CYP2D6 (0.39) CYP2D6CYP3A4CYP1A2TSHRCYP2C19
SCHEMBL12758830 0.88 CYP2D6 (0.35) CYP2D6CYP3A4CYP1A2TSHRCYP2C19
SCHEMBL9963381 0.88 CYP2D6 (0.39) CYP2D6CYP3A4CYP1A2TSHRCYP2C19
SCHEMBL10168682 0.88 USP2 (0.39) CYP2D6CYP3A4CYP1A2TSHRCYP2C19
SCHEMBL17658849 0.88 CYP2D6 (0.35) CYP2D6CYP3A4CYP1A2TSHRCYP2C19
SCHEMBL10255913 0.88 CYP2D6 (0.35) CYP2D6CYP3A4CYP1A2TSHRCYP2C19

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2024-02-29 US disclosed
WO-2023244918-A1 QUINOLONE BCL6 BIFUNCTIONAL DEGRADERS Treeline Biosciences, Inc. (US) 2023-12-21 WO disclosed
WO-2023071973-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE SHENZHEN TARGETRX, INC. (CN) 2023-05-04 WO disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20210186959-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2021-06-24 US disclosed
EP-3492471-B1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE SHENZHEN TARGETRX INC (CN) 2020-12-02 EP disclosed
US-20190201380-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2019-07-04 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-06-20 US disclosed
EP-3492471-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE Shenzhen Targetrx, Inc. (CN) 2019-06-05 EP disclosed
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-9493474-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-20140288042-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2014-09-25 US disclosed
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 US disclosed
US-7229996-B2 Rifamycin derivatives CUMBRE PHARMACEUTICALS INC. (US) 2007-06-12 US disclosed
US-7202246-B2 Spiro-rifamycin derivatives targeting RNA polymerase CUMBRE PHARMACEUTICALS INC. (US) 2007-04-10 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 (9 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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C CYP2D6 571/4885CYP3A4 1177/4885CYP1A2 201/4885
US-20140288042-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ2, KCNJ11, KCNK2 CYP2D6 2792/4885CYP3A4 4541/4885CYP1A2 2417/4885
US-20190201380-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 CYP2D6 865/4885CYP3A4 1636/4885CYP1A2 1217/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C CYP2D6 571/4885CYP3A4 1177/4885CYP1A2 201/4885
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN CYP2D6 942/4885CYP3A4 828/4885CYP1A2 619/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP2D6 3706/4885CYP3A4 3158/4885CYP1A2 3812/4885
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP2D6 3706/4885CYP3A4 3158/4885CYP1A2 3812/4885
US-20210186959-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP2D6 3706/4885CYP3A4 3158/4885CYP1A2 3812/4885
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP2D6 3706/4885CYP3A4 3158/4885CYP1A2 3812/4885

“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.