SCHEMBL441267

SCHEMBL441267

O=C(NCc1ccccn1)c1cnc(OC2CCC2)c(-c2ccc(Cl)cc2)c1.O=C(NCc1nc(C(F)(F)F)no1)c1cnc(OCCO)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.47
TACR2 P21452 1/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CNR2 P34972 2/20 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
SCHEMBL412095 0.90 CNR1 (0.55) CNR1TACR2CNR2
SCHEMBL442344 0.86 CNR1 (0.51) CNR1CNR2
SCHEMBL411182 0.85 CNR1 (0.47) CNR1TACR2CNR2
SCHEMBL411613 0.84 CNR1 (0.61) CNR1TACR2LMNACNR2
SCHEMBL412321 0.82 BCL9 (0.48) CNR1CNR2
SCHEMBL444586 0.81 CNR1 (0.45) CNR1TACR2CNR2
SCHEMBL412122 0.81 CNR1 (0.45) CNR1TACR2CNR2
SCHEMBL412098 0.81 CNR1 (0.45) CNR1CNR2
SCHEMBL411171 0.81 CNR1 (0.45) CNR1CNR2
SCHEMBL411092 0.79 CNR1 (0.55) CNR1TACR2CNR2

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 1 patent. 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

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-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR1 269/4885TACR2 1840/4885LMNA 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.