SCHEMBL2073202

SCHEMBL2073202

CCN(CC)C(=O)Nc1cc(N2CCN(C3CCCCC3)CC2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
EGFR P00533 1/20 0.40
ERBB3 P21860 1/20 0.40
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
OPRD1 P41143 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL2075554 0.99 HRH4 (0.56) HRH4SMN1; SMN2ALDH1A1RAB9AEGFR
SCHEMBL2072889 0.83 HRH4 (0.56) HRH4SMN1; SMN2ALDH1A1RAB9AEGFR
SCHEMBL2075546 0.83 HRH4 (0.52) HRH4SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL2075148 0.83 HRH4 (0.52) HRH4SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL2075159 0.83 HRH4 (0.55) HRH4SMN1; SMN2ALDH1A1RAB9AEGFR
SCHEMBL2073950 0.82 HRH4 (0.57) HRH4SMN1; SMN2ALDH1A1RAB9AEGFR
SCHEMBL4170894 0.82 HRH3 (0.44) HRH4SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL2074070 0.82 HRH4 (0.56) HRH4SMN1; SMN2ALDH1A1RAB9AEGFR
SCHEMBL2074954 0.81 HRH4 (0.55) HRH4SMN1; SMN2ALDH1A1RAB9AEGFR
SCHEMBL2074480 0.81 HRH4 (0.55) HRH4SMN1; SMN2ALDH1A1RAB9AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902184-B2 Piperazinyl pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
CN-101448820-A Piperidinyl pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-06-03 CN disclosed
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 HRH4 4/4885SMN1; SMN2 4105/4885ALDH1A1 1692/4885

“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.