SCHEMBL2076140

SCHEMBL2076140

CC(C)N1CCN(c2ccnc(NC(=O)c3ccc(F)cc3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.47
TRPV1 Q8NER1 1/20 0.45
HRH4 Q9H3N8 2/20 0.44
RAB9A P51151 2/20 0.44
HTR1F P30939 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
F12 P00748 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
EGFR P00533 1/20 0.43
ERBB3 P21860 1/20 0.43
WNT1 P04628 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
IDO1 P14902 1/20 0.42
KCNH2 Q12809 1/20 0.42
HDAC10 Q969S8 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
SCHEMBL2074665 0.87 KDM4E (0.46) OGAHRH4RAB9AALDH1A1HRH3
SCHEMBL2073765 0.78 HRH4 (0.50) OGAHRH4ALDH1A1SMN1; SMN2HRH3
SCHEMBL2074683 0.78 RAB9A (0.73) RAB9AHTR1FALDH1A1SMN1; SMN2EGFR
SCHEMBL2072892 0.77 OGA (0.48) OGAHRH4HRH3
SCHEMBL2075511 0.76 HRH4 (0.48) OGAHRH4ALDH1A1HRH3GSK3B
SCHEMBL2074448 0.76 IDH1 (0.48) OGAHRH4ALDH1A1GSK3BDYRK1A
SCHEMBL4197090 0.72 HRH3 (0.46) OGAHRH4HRH3
SCHEMBL2829625 0.70 HRH3 (0.54) RAB9AALDH1A1SMN1; SMN2HRH3
SCHEMBL5456511 0.70 CCNA2 (0.56) HRH4
SCHEMBL5456520 0.70 HRH4 (0.41) HRH4RAB9AALDH1A1SMN1; SMN2IDO1

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-7902184-B2 Piperazinyl pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US 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 OGA 4644/4885TRPV1 127/4885HRH4 4/4885

“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.