SCHEMBL441620

SCHEMBL441620

COc1cc(CNC(=O)c2cnc(OC(C)C(F)(F)F)c(-c3ccc(Cl)cc3)c2)on1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.45
CTSA P10619 3/20 0.44
LMNA P02545 1/20 0.43
TACR2 P21452 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40
GABRA5 P31644 3/20 0.40
THRB P10828 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL410622 1.00 CNR1 (0.45) CNR1CTSALMNATACR2NPC1
SCHEMBL412349 0.89 CNR1 (0.54) CNR1CTSATACR2POLBGABRA5
SCHEMBL412022 0.86 NPC1 (0.44) LMNANPC1RAB9APOLBTHRB
SCHEMBL440915 0.86 NPC1 (0.44) LMNANPC1RAB9APOLBTHRB
SCHEMBL412187 0.85 NPC1 (0.43) CNR1LMNANPC1RAB9APOLB
SCHEMBL411573 0.85 NPC1 (0.45) CNR1LMNANPC1RAB9APOLB
SCHEMBL444341 0.85 NPC1 (0.45) CNR1LMNANPC1RAB9APOLB
SCHEMBL441955 0.85 MAPT (0.45) CNR1CTSATACR2GABRA5THRB
SCHEMBL411123 0.85 MAPT (0.45) CNR1CTSATACR2GABRA5THRB
SCHEMBL442076 0.85 NPC1 (0.43) CNR1LMNANPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US claimed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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 (2 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR1 269/4885CTSA 375/4885LMNA 886/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR1 269/4885CTSA 375/4885LMNA 886/4885

“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.