SCHEMBL13409997

SCHEMBL13409997

N=C(c1cccnc1)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL13409979 0.90 KMT2A (0.55) MEN1TSHRKMT2AALDH1A1MAPT
SCHEMBL13409748 0.89 CYP3A4 (0.46) MEN1TSHRKMT2ACYP3A4CYP2D6
SCHEMBL13409589 0.87 CYP3A4 (0.53) CYP3A4
SCHEMBL13409117 0.84 ACKR3 (0.47) MEN1TSHRKMT2AALDH1A1ADRB2
SCHEMBL13410000 0.84 MEN1 (0.47) MEN1TSHRKMT2ACYP3A4CYP2D6
SCHEMBL13409111 0.84 KMT2A (0.51) MEN1TSHRKMT2AALDH1A1HTT
SCHEMBL13409986 0.84 CYP3A4 (0.46) MEN1TSHRKMT2ACYP3A4
SCHEMBL13409985 0.84 L3MBTL1 (0.51) MEN1TSHRKMT2AALDH1A1GAA
SCHEMBL13409046 0.84 ALDH1A1 (0.48) MEN1TSHRKMT2AALDH1A1MAPT
SCHEMBL13409133 0.84 MEN1 (0.42) MEN1TSHRKMT2ACYP3A4CYP2D6

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 MEN1 4556/4885TSHR 2742/4885KMT2A 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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