SCHEMBL13391141

SCHEMBL13391141

CON=C(c1ccc(Cl)cc1)C1CCN(C(=O)N2CCN(C(C)c3ccncc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 9/20 0.41
▸ AKR1C3 P42330 1/20 0.38
▸ MGLL Q99685 4/20 0.38
▸ MAPT P10636 1/20 0.36
▸ CHRNA7 P36544 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
SCHEMBL14355891 1.00 CCR5 (0.41) CCR5AKR1C3MGLLMAPTCHRNA7
SCHEMBL14356018 0.85 MGLL (0.52) MGLL
SCHEMBL13391712 0.85 MGLL (0.52) MGLL
SCHEMBL13391090 0.83 LSS (0.50) AKR1C3
SCHEMBL13391256 0.79 CCR5 (0.38) CCR5
SCHEMBL12893655 0.76 MGLL (0.49) CCR5MGLLMAPT
SCHEMBL13391351 0.75 TACR3 (0.47) —
SCHEMBL14355764 0.75 CYP3A4 (0.54) MAPT
SCHEMBL13391433 0.75 CYP3A4 (0.54) MAPT
SCHEMBL13391460 0.75 CYP3A4 (0.54) MAPT

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-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION SECHERING-PLOUGH CORPORATION (US) 2010-04-15 — — US disclosed
US-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION SECHERING-PLOUGH CORPORATION (US) 2010-04-15 — — US disclosed
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS SCHERING CORPORATION 2008-05-22 — — US disclosed
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS SCHERING CORPORATION 2008-05-22 — — 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 (2 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-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN GPR119, ATF4, GID4 CCR5 521/4885AKR1C3 3299/4885MGLL 964/4885
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS HRH2, HRH1, HRH4 CCR5 74/4885AKR1C3 500/4885MGLL 1221/4885

“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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