SCHEMBL13409831

SCHEMBL13409831

N=C(c1ccncc1F)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP2D6 P10635 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) CYP3A4MEN1TSHRKMT2A
SCHEMBL13409992 0.86 CYP3A4 (0.47) CYP3A4MEN1TSHRKMT2A
SCHEMBL13409748 0.85 CYP3A4 (0.46) CYP3A4MEN1TSHRKMT2ACYP2D6
SCHEMBL13392336 0.84 CYP3A4 (0.41) CYP3A4MEN1TSHRKMT2ACYP2D6
SCHEMBL14078202 0.84 CYP3A4 (0.41) CYP3A4MEN1TSHRKMT2ACYP2D6
SCHEMBL14469546 0.83 CYP3A4 (0.42) CYP3A4MEN1TSHRKMT2ACYP2D6
SCHEMBL13409825 0.83 MEN1 (0.44) CYP3A4MEN1TSHRKMT2A
SCHEMBL13409997 0.82 MEN1 (0.46) CYP3A4MEN1TSHRKMT2ACYP2D6
SCHEMBL13409986 0.82 CYP3A4 (0.46) CYP3A4MEN1TSHRKMT2A
SCHEMBL13409133 0.82 MEN1 (0.42) CYP3A4MEN1TSHRKMT2ACYP2D6

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 4556/4885TSHR 2742/4885

“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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