SCHEMBL18547476

SCHEMBL18547476

CC(C)(C)OC(=O)N1CC(n2c(C3CC3)nc3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc32)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 14/20 0.54
▸ CNR2 P34972 1/20 0.41
▸ P2RX3 P56373 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.39
▸ TNF P01375 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 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
SCHEMBL18547197 0.92 CNR1 (0.60) CNR1CNR2MEN1USP2HPGD
SCHEMBL18547120 0.84 CNR1 (0.39) CNR1P2RX3USP30TNFPSEN1
SCHEMBL20679672 0.83 CNR1 (0.44) CNR1CNR2
SCHEMBL18547256 0.83 CNR1 (0.44) CNR1CNR2
SCHEMBL18547257 0.83 CNR1 (0.44) CNR1CNR2
SCHEMBL18547548 0.82 CNR1 (0.60) CNR1CNR2P2RX3MEN1USP2
SCHEMBL18547342 0.82 CNR1 (0.40) CNR1P2RX3USP30TNFPSEN1
SCHEMBL18547175 0.80 CNR1 (0.60) CNR1CNR2
SCHEMBL18547150 0.78 CNR1 (0.46) CNR1MEN1USP2HPGDKMT2A
SCHEMBL18546920 0.78 CNR1 (0.51) CNR1CNR2MEN1KMT2ANPSR1

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
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

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 CNR1 1/4885CNR2 3/4885P2RX3 69/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 CNR1 1/4885CNR2 3/4885P2RX3 70/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 CNR1 1/4885CNR2 3/4885P2RX3 70/4885

“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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