SCHEMBL4200506

SCHEMBL4200506

NC(=O)c1n[c]cc(N2CCN(C3CCCCC3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.42
▸ GAA P10253 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ OPRD1 P41143 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ OGFRL1 Q5TC84 2/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ POLB P06746 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
SCHEMBL4200272 0.99 HRH3 (0.43) HRH3GAAALOX15OPRM1OPRD1
SCHEMBL4350540 0.77 HRH3 (0.48) HRH3GAAALOX15PTPN11KDM4E
SCHEMBL4202025 0.75 HRH3 (0.39) HRH3GAAPTPN11KDM4EPOLB
SCHEMBL2828055 0.71 HRH3 (0.50) HRH3GAAALOX15
SCHEMBL2829635 0.68 HRH3 (0.73) HRH3OPRM1OPRK1PARP1
SCHEMBL4177089 0.67 HRH3 (0.53) HRH3KDM4E
SCHEMBL30361159 0.66 HRH3 (0.65) HRH3ALOX15
SCHEMBL4200961 0.65 ACHE (0.50) HRH3GAAOPRM1OPRD1OPRK1
SCHEMBL5788089 0.64 CRHBP (0.68) HRH3GAAALOX15
SCHEMBL4168206 0.64 HRH3 (0.43) HRH3OPRM1OPRK1OGFRL1PTPN11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032554-A1 PIPERIDINYL PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-11 — — EP claimed
WO-2007137955-A1 PIPERIDINYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 — — WO claimed
US-20070281921-A1 Piperidinyl pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2007-12-06 — — US claimed
EP-2032554-A1 PIPERIDINYL PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-11 — — EP disclosed
WO-2007137955-A1 PIPERIDINYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 — — WO disclosed
US-20070281921-A1 Piperidinyl pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2007-12-06 — — 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-20070281921-A1 Piperidinyl pyrimidine derivatives HRH2, P2RX5, P2RX3 HRH3 8/4885GAA 992/4885ALOX15 2468/4885

“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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