SCHEMBL3288136

SCHEMBL3288136

COc1ccc(Cl)cc1C(=O)NC1CC1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
LMNA P02545 1/20 0.51
CNR1 P21554 1/20 0.51
MAOA P21397 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM1A O60341 1/20 0.49
MAOB P27338 1/20 0.49
SPTLC2 O15270 5/20 0.48
TLR2 O60603 1/20 0.48
TLR1 Q15399 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KCNMA1 Q12791 1/20 0.48

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
SCHEMBL3288137 1.00 ROCK2 (0.53) ROCK2ROCK1LMNACNR1MAOA
SCHEMBL3293154 0.86 KDM1A (0.52) ROCK2ROCK1MAOASMN1; SMN2NPSR1
SCHEMBL3293152 0.86 KDM1A (0.52) ROCK2ROCK1MAOASMN1; SMN2NPSR1
SCHEMBL3290520 0.85 CA1 (0.63) LMNAKDM1AALDH1A1KCNMA1
SCHEMBL3290518 0.85 CA1 (0.63) LMNAKDM1AALDH1A1KCNMA1
SCHEMBL3288027 0.81 ROCK2 (0.61) ROCK2ROCK1LMNAMAOASMN1; SMN2
SCHEMBL12860018 0.79 HTR2C (0.43) ROCK2ROCK1CNR1MAOAKDM1A
SCHEMBL3287731 0.79 LMNA (0.51) LMNAALDH1A1KCNMA1
SCHEMBL3287735 0.79 LMNA (0.51) LMNAALDH1A1KCNMA1
SCHEMBL3287740 0.79 LMNA (0.51) LMNAALDH1A1KCNMA1

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-2207540-B1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2014-02-26 EP disclosed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US disclosed
US-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 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-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof AR, ADRA2A, ADRA1A ROCK2 1323/4885ROCK1 1783/4885LMNA 2838/4885

“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.