SCHEMBL13409992

SCHEMBL13409992

N=C(c1ccc(F)cc1F)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PRKAB2 O43741 2/20 0.43
▸ PRKAG1 P54619 2/20 0.43
▸ PRKAA2 P54646 2/20 0.43
▸ PRKAA1 Q13131 2/20 0.43
▸ PRKAG3 Q9UGI9 2/20 0.43
▸ PRKAG2 Q9UGJ0 2/20 0.43
▸ PRKAB1 Q9Y478 2/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MAPT P10636 1/20 0.41

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
SCHEMBL13409824 0.88 MEN1 (0.48) CYP3A4MEN1KMT2ATSHR
SCHEMBL13409831 0.86 CYP3A4 (0.42) CYP3A4MEN1KMT2ATSHR
SCHEMBL13409986 0.86 CYP3A4 (0.46) CYP3A4MEN1KMT2APRKAB2PRKAG1
SCHEMBL13392105 0.84 CYP3A4 (0.46) CYP3A4MEN1KMT2APRKAB2PRKAG1
SCHEMBL14188200 0.84 CYP3A4 (0.46) CYP3A4MEN1KMT2APRKAB2PRKAG1
SCHEMBL13003728 0.84 PRKAB2 (0.51) CYP3A4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8419063 0.83 CYP3A4 (0.46) CYP3A4MEN1KMT2ATSHR
SCHEMBL13409690 0.83 MEN1 (0.46) MEN1KMT2ATSHRMAPT
SCHEMBL13409680 0.81 KMT2A (0.52) CYP3A4MEN1KMT2ATSHRMAPT
SCHEMBL13409697 0.81 MEN1 (0.46) CYP3A4MEN1KMT2ATSHRMAPT

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-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 (1 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 2573/4885MEN1 4556/4885KMT2A 3430/4885

“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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