SCHEMBL13409599

SCHEMBL13409599

CC(c1ccnc(N)c1)N1CCC(C(=O)N2CCC(C(=N)c3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 3/20 0.40
▸ TBK1 Q9UHD2 9/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL13391256 0.85 CCR5 (0.38) ACKR3TBK1
SCHEMBL14077861 0.83 ACKR3 (0.45) ACKR3TBK1
SCHEMBL14456968 0.82 CNR1 (0.58) ALDH1A1
SCHEMBL13409072 0.79 CYP3A4 (0.53) —
SCHEMBL13409053 0.79 TLR9 (0.40) KMT2AALDH1A1
SCHEMBL14091114 0.79 TBK1 (0.39) ACKR3TBK1
SCHEMBL14078571 0.78 ACKR3 (0.47) ACKR3TBK1
SCHEMBL14077794 0.78 ACKR3 (0.47) ACKR3TBK1
SCHEMBL13391527 0.78 P2RX7 (0.38) ACKR3TBK1KMT2AALDH1A1
SCHEMBL13591250 0.78 TBK1 (0.37) ACKR3TBK1

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 4 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
WO-2008108957-A2 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION (US) 2008-09-12 — — WO disclosed
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS SCHERING CORPORATION 2008-05-22 — — 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 (2 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 2293/4885TBK1 358/4885KMT2A 3430/4885
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS HRH2, HRH1, HRH4 ACKR3 67/4885TBK1 638/4885KMT2A 3970/4885

“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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