SCHEMBL410643

SCHEMBL410643

O=C(NCc1cc(C2CC2)no1)c1ccc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.43
CNR1 P21554 2/20 0.43
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
JAK2 O60674 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 2/20 0.37
TSHR P16473 1/20 0.37
RHOC P08134 1/20 0.37
RHOA P61586 1/20 0.37
MAPT P10636 1/20 0.37
KCNH2 Q12809 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
SCHEMBL412066 0.85 NPC1 (0.56) POLBALDH1A1SMN1; SMN2JAK2HTT
SCHEMBL31267275 0.85 NPC1 (0.56) POLBALDH1A1SMN1; SMN2JAK2HTT
SCHEMBL412040 0.85 CNR2 (0.45) CNR2CNR1
SCHEMBL412410 0.82 CNR1 (0.44) CNR2CNR1POLBALDH1A1SMN1; SMN2
SCHEMBL412268 0.80 RHOC (0.41) CNR2CNR1POLBALDH1A1SMN1; SMN2
SCHEMBL438387 0.80 MAPT (0.45) CNR2CNR1TP53MAPTKCNH2
SCHEMBL410645 0.76 CNR2 (0.55) CNR2CNR1POLBTP53RHOC
SCHEMBL412285 0.75 POLB (0.41) CNR2POLBALDH1A1SMN1; SMN2JAK2
SCHEMBL16927384 0.74 CNR1 (0.41) CNR2CNR1POLBALDH1A1SMN1; SMN2
SCHEMBL410512 0.73 MRGPRX4 (0.49) CNR2CNR1

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 12 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-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-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-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
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO 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 CNR2 435/4885CNR1 269/4885POLB 3742/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR2 435/4885CNR1 269/4885POLB 3742/4885

“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.