SCHEMBL13409593

SCHEMBL13409593

N=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2CCN(Cc3ccncc3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.59
▸ CYP2D6 P10635 4/20 0.59
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ LSS P48449 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL13409586 0.89 LSS (0.56) CYP3A4CYP2D6KDM4ELSS
SCHEMBL13391205 0.89 CYP3A4 (0.61) CYP3A4CYP2D6KDM4EALDH1A1MAPT
SCHEMBL13409072 0.87 CYP3A4 (0.53) CYP3A4
SCHEMBL13409046 0.86 ALDH1A1 (0.48) CYP3A4CYP2D6KDM4EALDH1A1MAPT
SCHEMBL14456755 0.86 CYP3A4 (0.65) CYP3A4CYP2D6KDM4EALDH1A1MAPT
SCHEMBL14078067 0.85 CYP3A4 (0.57) CYP3A4CYP2D6KDM4EALDH1A1MAPT
SCHEMBL14387692 0.84 CYP3A4 (0.56) CYP3A4CYP2D6KDM4EALDH1A1MAPT
SCHEMBL13409748 0.83 CYP3A4 (0.46) CYP3A4CYP2D6MEN1TSHRKMT2A
SCHEMBL14456892 0.82 MEN1 (0.63) CYP3A4CYP2D6ALDH1A1MEN1TSHR
SCHEMBL14355764 0.81 CYP3A4 (0.54) CYP3A4CYP2D6KDM4EALDH1A1MAPT

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-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-7300941-B2 Non-imidazole compounds SCHERING CORPORATION (US) 2007-11-27 — — 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 CYP3A4 2573/4885CYP2D6 1986/4885KDM4E 2918/4885
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS HRH2, HRH1, HRH4 CYP3A4 938/4885CYP2D6 884/4885KDM4E 4591/4885

“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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