SCHEMBL13409986

SCHEMBL13409986

N=C(c1ccc(F)cc1)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ PRKAB2 O43741 1/20 0.46
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA2 P54646 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46
▸ PRKAG3 Q9UGI9 1/20 0.46
▸ PRKAG2 Q9UGJ0 1/20 0.46
▸ PRKAB1 Q9Y478 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL13409985 0.90 L3MBTL1 (0.51) MEN1TSHRKMT2A
SCHEMBL13409046 0.90 ALDH1A1 (0.48) CYP3A4MEN1TSHRKMT2AKDM4E
SCHEMBL13409979 0.89 KMT2A (0.55) MEN1TSHRKMT2AKDM4E
SCHEMBL13409686 0.89 PRKAB2 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13409748 0.88 CYP3A4 (0.46) CYP3A4MEN1TSHRKMT2A
SCHEMBL13409111 0.88 KMT2A (0.51) MEN1TSHRKMT2A
SCHEMBL13409679 0.87 PRKAA2 (0.49) CYP3A4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14387701 0.87 KDM4E (0.48) MEN1TSHRKMT2AKDM4E
SCHEMBL13409992 0.86 CYP3A4 (0.47) CYP3A4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13409687 0.85 ACKR3 (0.44) CYP3A4MEN1TSHRKMT2A

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 2573/4885HTR2A 1326/4885PRKAB2 426/4885

“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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