SCHEMBL12015749

SCHEMBL12015749

COCCNc1cccc(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KCNH3 Q9ULD8 2/20 0.43
▸ ICMT O60725 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ FADS1 O60427 1/20 0.41
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ HDAC4 P56524 1/20 0.40

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
SCHEMBL16869916 0.81 CYP3A4 (0.46) ICMTCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL16869998 0.79 GRIN2D (0.45) L3MBTL1ICMTCYP1A2CYP3A4CYP2D6
SCHEMBL25628118 0.79 CYP3A4 (0.48) ICMTCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL16980505 0.78 SMN1; SMN2 (0.50) ICMTMAPTFADS1GRIN2DGRIN3B
SCHEMBL7221434 0.77 MEN1 (0.49) L3MBTL1KCNH3ICMTCYP1A2CYP3A4
SCHEMBL6995577 0.77 MAPT (0.71) KCNH3ICMTCYP1A2CYP3A4CYP2D6
SCHEMBL8168328 0.77 GRIN2D (0.45) ICMTCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL135137 0.76 CASR (0.54) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL633135 0.76 MAPT (0.51) L3MBTL1KCNH3ICMTCYP1A2CYP3A4
SCHEMBL21928897 0.76 DRD4 (0.46) KCNH3CYP1A2CYP3A4CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 — — WO disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 — — US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 — — US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 — — US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 — — US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 — — US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 — — 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 (3 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS L3MBTL1 3616/4885KCNH3 713/4885ICMT 1379/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS L3MBTL1 3616/4885KCNH3 713/4885ICMT 1379/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS L3MBTL1 3616/4885KCNH3 713/4885ICMT 1379/4885

“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.

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