SCHEMBL13409053

SCHEMBL13409053

N=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2CCN(C3CC(c4ccnc(N)c4)C3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ MGLL Q99685 3/20 0.36
▸ IDE P14735 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ PROKR1 Q8TCW9 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL13409599 0.79 ACKR3 (0.40) KMT2AALDH1A1
SCHEMBL13409072 0.79 CYP3A4 (0.53) CYP3A4
SCHEMBL13409046 0.70 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL14078606 0.70 HRH3 (0.50) CYP3A4
SCHEMBL13391188 0.69 CYP3A4 (0.55) CYP3A4
SCHEMBL13409593 0.68 CYP3A4 (0.59) KMT2AMEN1ALDH1A1CYP3A4MAPT
SCHEMBL14215491 0.67 CYP3A4 (0.51) CYP3A4
SCHEMBL13391256 0.67 CCR5 (0.38) —
SCHEMBL14091095 0.66 CYP3A4 (0.52) CYP3A4
SCHEMBL13391490 0.66 CYP3A4 (0.52) CYP3A4

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 1 patent. 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

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 TLR9 1698/4885TLR8 1186/4885TLR7 1630/4885

“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.

Send feedback