SCHEMBL3786351

SCHEMBL3786351

Cc1cc(CN)cc(-c2ccc(CN)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.58
TAAR1 Q96RJ0 5/20 0.50
AKT2 P31751 1/20 0.44
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
CYP2A6 P11509 1/20 0.40
ADRB2 P07550 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
LTA4H P09960 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
ABAT P80404 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL3792838 0.86 TAAR1 (0.54) HRH3TAAR1LOXL2
SCHEMBL3785928 0.84 NOS1 (0.47) TAAR1NOS3NOS1NOS2LOXL2
SCHEMBL260102 0.80 HRH3 (0.74) HRH3TAAR1AKT2CYP2A6ADRB2
SCHEMBL28223278 0.79 HRH3 (0.82) HRH3TAAR1CYP2A6ADRB2LOXL2
SCHEMBL3786652 0.79 TAAR1 (0.61) HRH3TAAR1AKT2NOS3NOS1
SCHEMBL27817084 0.78 NOS1 (0.48) TAAR1NOS3NOS1NOS2LOXL2
SCHEMBL43251 0.77 ALDH1A1 (0.47) HRH3TAAR1CYP2A6LOXL2
SCHEMBL12968186 0.77 PGK1 (0.42) HRH3TAAR1NOS3NOS1NOS2
SCHEMBL2274647 0.76 HRH3 (1.00) HRH3TAAR1CYP2A6ADRB2LOXL2
SCHEMBL27651134 0.75 HRH3 (0.58) HRH3TAAR1AKT2NOS3NOS1

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 HRH3 169/4885TAAR1 1746/4885AKT2 3144/4885

“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.