SCHEMBL3159792

SCHEMBL3159792

CC1(CCOc2cc[c]cc2)OCCO1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
HTR2A P28223 1/20 0.30
MAPK1 P28482 1/20 0.30
SCN1A P35498 1/20 0.30
HTR2B P41595 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN2A Q99250 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
SCN3A Q9NY46 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
RYR2 Q92736 1/20 0.30

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
SCHEMBL3168474 0.94 GPR119 (0.31)
SCHEMBL17309118 0.83 KCNA3 (0.47) HTR1AALDH1A1
SCHEMBL3167046 0.83 USP2 (0.30)
SCHEMBL3159542 0.81 HTR1A (0.33) HTR1A
SCHEMBL171652 0.81 DRD2 (0.43) ALDH1A1CYP1A2KCNH2
SCHEMBL5450367 0.77 KCNA3 (0.44) HTR1AALDH1A1MAPK1
SCHEMBL3154852 0.76
SCHEMBL27833650 0.76
SCHEMBL6253152 0.72 CHRNB2 (0.53)
SCHEMBL22683445 0.72 RYR2 (0.45) ALDH1A1HRH3RYR2

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
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 HTR1A 2238/4885ALDH1A1 208/4885CYP1A2 1987/4885

“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.