SCHEMBL3735640

SCHEMBL3735640

Cc1cc(C(=O)C=Cc2cncnc2)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.56
SNCA P37840 1/20 0.48
CYP1A1 P04798 5/20 0.47
CYP1A2 P05177 5/20 0.47
CYP1B1 Q16678 5/20 0.47
PTGS2 P35354 1/20 0.45
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
P4HB P07237 1/20 0.43
MAPT P10636 2/20 0.43
TNFRSF1A P19438 1/20 0.43
USP2 O75604 1/20 0.42
NAMPT P43490 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 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
SCHEMBL8160897 1.00 NTSR1 (0.56) NTSR1SNCACYP1A1CYP1A2CYP1B1
SCHEMBL3735638 0.86 CYP1A1 (0.56) NTSR1SNCACYP1A1CYP1A2CYP1B1
SCHEMBL3737992 0.81 NTSR1 (0.54) NTSR1SNCACYP1A1CYP1A2CYP1B1
SCHEMBL3742755 0.79 NTSR1 (0.49) NTSR1SNCACYP1A1CYP1A2CYP1B1
SCHEMBL3735792 0.77 NTSR1 (0.50) NTSR1SNCACYP1A1CYP1A2CYP1B1
SCHEMBL3735484 0.77 PTGS2 (0.48) NTSR1SNCACYP1A1CYP1A2CYP1B1
SCHEMBL3732464 0.77 NTSR1 (0.43) NTSR1SNCACYP1A1CYP1A2CYP1B1
SCHEMBL3738150 0.77 PTGS2 (0.71) SNCAPTGS2P4HBMAPTTNFRSF1A
SCHEMBL3732309 0.77 CYP1A1 (0.68) SNCACYP1A1CYP1A2CYP1B1P4HB
SCHEMBL3737989 0.76 CYP1A1 (0.54) NTSR1SNCACYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 NTSR1 33/4885SNCA 2313/4885CYP1A1 1184/4885

“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.