SCHEMBL18547271

SCHEMBL18547271

CCOC(=O)CCc1nc2ccc(C(C(=O)OC)(c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2n1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CNR1 P21554 3/20 0.40
▸ RORC P51449 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ STS P08842 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 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
SCHEMBL18547268 0.84 CNR1 (0.44) ALDH1A1SMN1; SMN2MEN1LMNAGAA
SCHEMBL18554579 0.84 MAPT (0.35) ALDH1A1LMNAGAANPSR1CNR1
SCHEMBL18547013 0.84 CNR1 (0.42) ALDH1A1SMN1; SMN2MEN1LMNAGAA
SCHEMBL18547342 0.77 CNR1 (0.40) MEN1LMNAKMT2ANPSR1CNR1
SCHEMBL18547774 0.76 CNR1 (0.44) ALDH1A1SMN1; SMN2MEN1LMNAGAA
SCHEMBL18547101 0.76 P2RX3 (0.46) ALDH1A1SMN1; SMN2MEN1LMNAGAA
SCHEMBL18547468 0.76 CNR1 (0.54) ALDH1A1MEN1KMT2ANPSR1CNR1
SCHEMBL18547309 0.73 CNR1 (0.42) CNR1CNR2
SCHEMBL18547700 0.72 CNR1 (0.40) ALDH1A1SMN1; SMN2MEN1LMNAGAA
SCHEMBL16763373 0.72 RORC (0.50) SMN1; SMN2MEN1KMT2ANPSR1CNR1

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 ALDH1A1 528/4885SMN1; SMN2 1950/4885MEN1 3980/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 ALDH1A1 517/4885SMN1; SMN2 2009/4885MEN1 3963/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 ALDH1A1 517/4885SMN1; SMN2 2009/4885MEN1 3963/4885

“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.

Send feedback