SCHEMBL632625

SCHEMBL632625

Clc1cccc(NCC2CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
CRHR1 P34998 1/20 0.57
EPHX2 P34913 3/20 0.52
EPHX1 P07099 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
PRKCQ Q04759 2/20 0.46
KDR P35968 1/20 0.46
FBP1 P09467 1/20 0.44
STK4 Q13043 1/20 0.44
STK3 Q13188 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
VCP P55072 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
FADS1 O60427 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL31375628 0.93 EPHX2 (0.61) POLBCRHR1EPHX2EPHX1TAAR1
SCHEMBL11935118 0.92 POLB (0.54) POLBCRHR1EPHX2EPHX1TAAR1
SCHEMBL13439105 0.92 POLB (0.54) POLBCRHR1EPHX2EPHX1TAAR1
SCHEMBL3951239 0.82 POLB (0.50) POLBCRHR1EPHX2EPHX1TAAR1
SCHEMBL3647453 0.81 CRHR1 (0.54) POLBCRHR1EPHX2EPHX1ALDH1A1
SCHEMBL25065911 0.80 GRM4 (0.47) POLBCRHR1EPHX2EPHX1PRKCQ
SCHEMBL13438930 0.80 CRHR1 (0.50) POLBCRHR1EPHX2EPHX1TAAR1
SCHEMBL11935248 0.80 CRHR1 (0.50) POLBCRHR1EPHX2EPHX1TAAR1
SCHEMBL13565050 0.80 CRHR1 (0.50) POLBCRHR1EPHX2EPHX1FBP1
SCHEMBL17090148 0.80 CRHR1 (0.50) POLBCRHR1EPHX2EPHX1FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 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 (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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R POLB 3101/4885CRHR1 1513/4885EPHX2 4113/4885

“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.