Sugi Predict

Sugi Predict / Compounds / SCHEMBL18547248

SCHEMBL18547248

SCHEMBL18547248

C[C@H](Cn1c(C2CC2)nc2ccc(C(c3ccccc3)c3ccc(Cl)cc3)cc21)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MCHR1 Q99705 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CNR1 P21554 11/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ CNR2 P34972 3/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL18547250 1.00 ALDH1A1 (0.40) ALDH1A1GAAMCHR1NPC1LMNA
SCHEMBL18547791 0.95 ALDH1A1 (0.41) ALDH1A1GAAMCHR1NPC1RAB9A
SCHEMBL18547789 0.95 ALDH1A1 (0.41) ALDH1A1GAAMCHR1NPC1RAB9A
SCHEMBL18547113 0.88 PRCP (0.41) ALDH1A1GAANPC1LMNAMAPT
SCHEMBL18546936 0.88 PRCP (0.41) ALDH1A1GAANPC1LMNAMAPT
SCHEMBL18576580 0.85 KCNH2 (0.44) ALDH1A1GAAMCHR1NPC1LMNA
SCHEMBL18547018 0.84 CNR1 (0.41) MCHR1CNR1CNR2
SCHEMBL18547317 0.84 RAB9A (0.45) ALDH1A1GAANPC1LMNAMAPT
SCHEMBL18547312 0.84 RAB9A (0.45) ALDH1A1GAANPC1LMNAMAPT
SCHEMBL18575794 0.82 CNR1 (0.48) ALDH1A1GAAMCHR1NPC1RAB9A

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 7 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-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
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 — — WO disclosed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 — — US disclosed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 — — 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 528/4885GAA 1130/4885MCHR1 277/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 ALDH1A1 517/4885GAA 1146/4885MCHR1 275/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 ALDH1A1 517/4885GAA 1146/4885MCHR1 275/4885

“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.