SCHEMBL18198232

SCHEMBL18198232

CCc1[nH]ncc1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TP53 P04637 1/20 0.40
CCR5 P51681 2/20 0.39
CXCR4 P61073 1/20 0.39
CALM1 P0DP23 1/20 0.38
TRPA1 O75762 1/20 0.38
IDO1 P14902 1/20 0.38
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL23068287 0.78 AKT2 (0.48) TAAR1HRH3CCR5CXCR4CALM1
SCHEMBL13495318 0.75 CCR5 (0.41) TAAR1HRH3CCR5CXCR4HPGD
SCHEMBL22547310 0.74 NR1H2 (0.43) TAAR1HRH3CALM1IDO1HPGD
SCHEMBL13516287 0.74 LMNA (0.48) TAAR1HRH3CCR5CXCR4CALM1
SCHEMBL28340009 0.74 CCR5 (0.47) TAAR1HRH3CCR5CXCR4CALM1
SCHEMBL2374036 0.70 AKT1 (0.58) TRPA1MEN1KMT2A
SCHEMBL14722889 0.69 RNASEH1 (0.43) BCL2BCL2L1HPGD
SCHEMBL6548117 0.68 HTR2A (0.56) TP53CALM1BCL2BCL2L1TSHR
SCHEMBL10824453 0.67 TP53 (0.48) TP53CALM1BCL2BCL2L1
SCHEMBL10234162 0.67 GAA (0.51) MEN1KMT2A

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-20160318933-A1 FUSED PYRAZOLE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-11-03 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-20160318933-A1 FUSED PYRAZOLE DERIVATIVE DRD4, DRD2, DRD3 TAAR1 147/4885HRH3 68/4885TP53 3036/4885

“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.