SCHEMBL13340931

SCHEMBL13340931

CCN1CCc2cc(C(C)C)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
HTR2A P28223 7/20 0.41
HTR2C P28335 7/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
ACHE P22303 1/20 0.37
HTR2B P41595 6/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 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
SCHEMBL14214509 0.90 HRH3 (0.49) NOTUMHTR2AHTR2CPDK1PDK2
SCHEMBL13534200 0.87 HTR2A (0.47) NOTUMHTR2AHTR2CHRH3MAPT
SCHEMBL14027776 0.85 HTR2A (0.43) HTR2AHTR2CPDK1PDK2PDK3
SCHEMBL14046240 0.85 NOTUM (0.44) NOTUMHTR2AHTR2CHRH3MAPT
SCHEMBL12894583 0.80 ALDH1A1 (0.48) HTR2AHTR2CPDK1PDK2PDK3
SCHEMBL15701646 0.80 ADRB2 (0.47) HTR2AHTR2CTP53ACHEALDH1A1
SCHEMBL10695869 0.79 ACHE (0.43) NOTUMMAPTTP53POLBACHE
SCHEMBL17050429 0.78 GRM5 (0.45) HRH3CYP2D6
SCHEMBL15701661 0.78 KCNH2 (0.43) ACHEALDH1A1MEN1USP2CDK4
SCHEMBL15701644 0.78 OPRK1 (0.47) NOTUMHTR2AHTR2CPDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230060334-A1 COMPOUNDS FOR TARGETED DEGRADATION OF BRD9 C4 THERAPEUTICS, INC. (US) 2023-03-02 US disclosed
US-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2018-07-05 US disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 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-20230060334-A1 COMPOUNDS FOR TARGETED DEGRADATION OF BRD9 BRD9, BRD1, BRWD1 NOTUM 3573/4885HTR2A 4176/4885HTR2C 4387/4885
US-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX NOTUM 590/4885HTR2A 2333/4885HTR2C 2597/4885
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ NOTUM 3526/4885HTR2A 2713/4885HTR2C 2391/4885
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 NOTUM 3024/4885HTR2A 3721/4885HTR2C 4284/4885

“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.