SCHEMBL4550434

SCHEMBL4550434

COC1(C)CCCN(C(C)=O)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.40
CYP1A2 P05177 5/20 0.40
ALDH1A1 P00352 4/20 0.40
USP2 O75604 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP2D6 P10635 9/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL26620243 0.89 SMN1; SMN2 (0.39) CYP3A4CYP1A2ALDH1A1USP2HIF1A
SCHEMBL26807125 0.85 HSD11B1 (0.39) CYP3A4CYP1A2ALDH1A1USP2HIF1A
SCHEMBL16907554 0.80 SMN1; SMN2 (0.50) CYP1A2ALDH1A1CYP2D6SMN1; SMN2CYP2C19
SCHEMBL32681668 0.78 HPGD (0.43) CYP1A2ALDH1A1USP2CYP2D6SMN1; SMN2
SCHEMBL28184794 0.78 HPGD (0.43) CYP1A2ALDH1A1USP2CYP2D6SMN1; SMN2
SCHEMBL838932 0.78 CYP3A4 (0.45) CYP3A4CYP1A2ALDH1A1USP2HIF1A
SCHEMBL26634079 0.77 CYP3A4 (0.42) CYP3A4CYP1A2ALDH1A1USP2HIF1A
SCHEMBL12045659 0.76 CYP1A2 (0.43) CYP3A4CYP1A2ALDH1A1USP2CYP2D6
SCHEMBL24597263 0.75 CYP2D6 (0.42) CYP3A4CYP1A2ALDH1A1USP2HIF1A
SCHEMBL4550437 0.75 CYP3A4 (0.43) CYP3A4CYP1A2ALDH1A1USP2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
WO-2022146698-A1 SOS1 INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-07-07 WO disclosed
WO-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
US-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 US disclosed
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-29 US disclosed
US-8440651-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-14 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 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 (4 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-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB CYP3A4 1057/4885CYP1A2 814/4885ALDH1A1 2467/4885
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 IKZF1, IKZF3, IKZF2 CYP3A4 2637/4885CYP1A2 3530/4885ALDH1A1 4344/4885
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 CYP3A4 2915/4885CYP1A2 2086/4885ALDH1A1 3594/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD CYP3A4 2133/4885CYP1A2 702/4885ALDH1A1 4423/4885

“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.