SCHEMBL3735792

SCHEMBL3735792

Cc1cc(C(=O)C=Cc2cnccn2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.50
CYP1A1 P04798 5/20 0.44
CYP1A2 P05177 5/20 0.44
CYP1B1 Q16678 5/20 0.44
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39

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
SCHEMBL3732464 0.82 NTSR1 (0.43) NTSR1CYP1A1CYP1A2CYP1B1SNCA
SCHEMBL4434965 0.78 PIM1 (0.35) NTSR1RAB9AKMT2ANAMPT
SCHEMBL3733161 0.78 CYP1A1 (0.48) NTSR1CYP1A1CYP1B1SNCAPFKFB3
SCHEMBL3735640 0.77 NTSR1 (0.56) NTSR1CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL8160897 0.77 NTSR1 (0.56) NTSR1CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL3742795 0.76 APLNR (0.41) NTSR1CYP1A1CYP1B1SNCAPFKFB3
SCHEMBL3737992 0.75 NTSR1 (0.54) NTSR1CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL3735788 0.74 P4HB (0.58) NTSR1CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL3735484 0.74 PTGS2 (0.48) NTSR1CYP1A1CYP1A2CYP1B1SNCA
SCHEMBL3742755 0.73 NTSR1 (0.49) NTSR1CYP1A1CYP1A2CYP1B1CYP3A4

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 33/4885CYP1A1 1184/4885CYP1A2 1026/4885

“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.