SCHEMBL13409586

SCHEMBL13409586

N=C(c1ccc(Cl)cc1)C1CCN(C(=O)N2CCN(Cc3ccncc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 4/20 0.56
▸ THRB P10828 1/20 0.51
▸ AKR1C3 P42330 1/20 0.50
▸ TACR3 P29371 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ ACKR3 P25106 1/20 0.46

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
SCHEMBL13409593 0.89 CYP3A4 (0.59) LSSKDM4ECYP3A4CYP2D6
SCHEMBL13391092 0.89 LSS (0.58) LSSTHRBAKR1C3
SCHEMBL13391090 0.81 LSS (0.50) LSSTHRBAKR1C3TACR3KDM4E
SCHEMBL27759916 0.79 KDM4E (0.62) LSSAKR1C3KDM4ECYP3A4CYP2D6
SCHEMBL14456755 0.79 CYP3A4 (0.65) LSSKDM4ECYP3A4CYP2D6
SCHEMBL13391389 0.78 TACR3 (0.53) TACR3KDM4EACKR3
SCHEMBL13391205 0.77 CYP3A4 (0.61) KDM4ECYP3A4CYP2D6
SCHEMBL14355927 0.77 LSS (0.46) LSSTHRBAKR1C3TACR3KDM4E
SCHEMBL13409072 0.77 CYP3A4 (0.53) CYP3A4
SCHEMBL13409046 0.75 ALDH1A1 (0.48) KDM4ECYP3A4CYP2D6

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 2 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

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 LSS 3221/4885THRB 1200/4885AKR1C3 3299/4885
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS HRH2, HRH1, HRH4 LSS 1975/4885THRB 3729/4885AKR1C3 500/4885

“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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