SCHEMBL20679677

SCHEMBL20679677

COC(=O)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc2nc(C3CC3)n(CN3CCCCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ MCHR1 Q99705 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ OPRM1 P35372 1/20 0.36

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
SCHEMBL18547364 0.85 JAK2 (0.44) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL18547002 0.82 P2RX3 (0.45) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL18547130 0.82 KCNH2 (0.40) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL18547185 0.82 CNR2 (0.46) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL18562613 0.81 P2RX3 (0.40) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL18547456 0.81 NPC1 (0.44) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL18547103 0.80 NPC1 (0.40) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL18547105 0.80 NPC1 (0.40) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL18547191 0.80 NPC1 (0.40) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL18547398 0.80 CNR1 (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 — — 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 (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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 LMNA 3811/4885SMN1; SMN2 1950/4885MAPT 4473/4885

“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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