SCHEMBL13409676

SCHEMBL13409676

Cc1cccnc1C(=N)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ACKR3 P25106 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13409754 0.89 KMT2A (0.45) MEN1KMT2ATSHRCYP3A4LTA4H
SCHEMBL13409825 0.89 MEN1 (0.44) MEN1KMT2ATSHRKDM4ECYP3A4
SCHEMBL13410000 0.85 MEN1 (0.47) MEN1KMT2ATSHRCYP3A4LTA4H
SCHEMBL13391996 0.84 ATM (0.41) MEN1KMT2ATSHRACKR3KDM4E
SCHEMBL14078057 0.84 ATM (0.41) MEN1KMT2ATSHRACKR3KDM4E
SCHEMBL8416759 0.83 MEN1 (0.49) MEN1KMT2ATSHRL3MBTL1CYP3A4
SCHEMBL13409997 0.82 MEN1 (0.46) MEN1KMT2ATSHRCYP3A4
SCHEMBL13409985 0.82 L3MBTL1 (0.51) MEN1KMT2ATSHRACKR3L3MBTL1
SCHEMBL13409979 0.82 KMT2A (0.55) MEN1KMT2ATSHRKDM4ENPSR1
SCHEMBL13409748 0.81 CYP3A4 (0.46) MEN1KMT2ATSHRCYP3A4

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 4556/4885KMT2A 3430/4885TSHR 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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