SCHEMBL2730243

SCHEMBL2730243

Cn1cc(-c2ccc(C3(NC(=O)[C@@H](N)CO)CC3)nc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 15/20 0.40
MAPK1 P28482 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CREBBP Q92793 2/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 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
SCHEMBL2730245 1.00 EP300 (0.40) EP300MAPK1GPR55CREBBPCCNC
SCHEMBL2726258 0.88 GPR55 (0.42) EP300GPR55CREBBP
SCHEMBL2726267 0.88 GPR55 (0.42) EP300GPR55CREBBP
SCHEMBL2729680 0.88 GPR55 (0.42) EP300GPR55CREBBP
SCHEMBL2730077 0.86 GPR55 (0.41) EP300GPR55CREBBP
SCHEMBL2728368 0.85 MAPK1 (0.41) EP300MAPK1CREBBP
SCHEMBL2728374 0.85 MAPK1 (0.41) EP300MAPK1CREBBP
SCHEMBL2729210 0.85 EP300 (0.36) EP300GPR55
SCHEMBL2729213 0.85 EP300 (0.36) EP300GPR55
SCHEMBL2728853 0.76 GSK3B (0.54) CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445909-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2013-11-13 EP disclosed
US-8575360-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 US disclosed
US-20120252817-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-04 US disclosed
EP-2445909-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2012-05-02 EP disclosed
WO-2010141273-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 WO 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 (1 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-20120252817-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES ARG1, COL14A1, HPGDS EP300 566/4885MAPK1 1269/4885GPR55 782/4885

“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.