SCHEMBL18547105

SCHEMBL18547105

COC(=O)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc2nc(C3CC3)n(C[C@@H](O)c3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PPARG P37231 1/20 0.38
▸ MCHR1 Q99705 2/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NFKB2 Q00653 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
SCHEMBL18547191 1.00 NPC1 (0.40) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL18547103 1.00 NPC1 (0.40) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL18547236 0.90 NPC1 (0.39) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL18547039 0.90 NPC1 (0.39) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL18547037 0.90 NPC1 (0.39) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL18547177 0.84 ACSS2 (0.43) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL18547364 0.83 JAK2 (0.44) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL18547002 0.80 P2RX3 (0.45) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL18547456 0.80 NPC1 (0.44) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL20679677 0.80 LMNA (0.40) NPC1RAB9ALMNASMN1; SMN2MAPT

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 3 patents. 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
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 — — US disclosed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 — — 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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 NPC1 230/4885RAB9A 2584/4885LMNA 3811/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 NPC1 230/4885RAB9A 2538/4885LMNA 3751/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 NPC1 230/4885RAB9A 2538/4885LMNA 3751/4885

“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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