SCHEMBL13409117

SCHEMBL13409117

Cc1cccc(C(=N)C2CCN(C(=O)C3CCN(Cc4cnc(N)nc4)CC3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 7/20 0.47
▸ ADRB2 P07550 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A2 O94788 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ALDH2 P05091 1/20 0.42
▸ ALDH3A1 P30838 1/20 0.42
▸ ALDH1A3 P47895 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
SCHEMBL13409985 0.88 L3MBTL1 (0.51) ACKR3MEN1KMT2ATSHRL3MBTL1
SCHEMBL13409979 0.88 KMT2A (0.55) ADRB2MEN1KMT2ATSHRKDM4E
SCHEMBL14387782 0.85 ALDH1A1 (0.49) ACKR3ADRB2MEN1KMT2ATSHR
SCHEMBL13409678 0.85 ACKR3 (0.43) ACKR3MEN1KMT2ATSHRL3MBTL1
SCHEMBL13392131 0.84 KDM4E (0.44) ACKR3ADRB2MEN1KMT2ATSHR
SCHEMBL14077836 0.84 KDM4E (0.44) ACKR3ADRB2MEN1KMT2ATSHR
SCHEMBL13409997 0.84 MEN1 (0.46) ADRB2MEN1KMT2ATSHRALDH1A1
SCHEMBL14469293 0.83 TSHR (0.47) ACKR3MEN1KMT2ATSHRKDM4E
SCHEMBL13409748 0.83 CYP3A4 (0.46) MEN1KMT2ATSHR
SCHEMBL13409700 0.83 MEN1 (0.44) ACKR3MEN1KMT2ATSHRKDM4E

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 ACKR3 2293/4885ADRB2 1521/4885MEN1 4556/4885

“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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