SCHEMBL2645803

SCHEMBL2645803

O=C(Cc1ccccc1)C1CCC[N]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.49
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
AKR1B1 P15121 1/20 0.42
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLS O94925 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 1/20 0.38

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
SCHEMBL5758340 0.95 EPHX2 (0.47) FAAHEPHX2ALDH1A1HPGDGLA
SCHEMBL2644339 0.84 KEAP1 (0.46) EPHX2ALDH1A1HPGDPOLBL3MBTL1
SCHEMBL5160492 0.76 TSHR (0.49) ALDH1A1L3MBTL1KMT2A
SCHEMBL3553273 0.76 FAAH (0.42) FAAHEPHX2ALDH1A1HPGDGLA
SCHEMBL2078210 0.76 TSHR (0.49) ALDH1A1L3MBTL1KMT2A
SCHEMBL2646530 0.74 MCL1 (0.46) ALDH1A1CES2CES1POLBL3MBTL1
SCHEMBL4656202 0.73 ALDH1A1 (0.56) FAAHEPHX2ALDH1A1HPGDGLA
SCHEMBL800064 0.73 EPHX2 (0.56) FAAHEPHX2ALDH1A1HPGDGLA
SCHEMBL4674087 0.72 FAAH (0.47) FAAHEPHX2ALDH1A1HPGDGLA
SCHEMBL1155730 0.72 FAAH (0.55) FAAHEPHX2ALDH1A1HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 FAAH 4331/4885EPHX2 4649/4885ALDH1A1 1188/4885

“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.