SCHEMBL631672

SCHEMBL631672

Clc1cccc(N(Cc2ccccc2)Cc2c[nH]cn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.41
TSHR P16473 3/20 0.40
CYP2D6 P10635 2/20 0.40
MAPT P10636 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CETP P11597 1/20 0.38
NR3C1 P04150 1/20 0.38
QPCT Q16769 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PDE6A P16499 1/20 0.37
ADRA2C P18825 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
SCHEMBL632509 0.94 TAAR1 (0.41) TAAR1TSHRCYP2D6MAPTCETP
SCHEMBL632954 0.92 TAAR1 (0.41) TAAR1TSHRCYP2D6MAPTLMNA
SCHEMBL631532 0.85 TAAR1 (0.39) TAAR1CYP2D6MAPTLMNACYP1A2
SCHEMBL632332 0.85 QPCT (0.53) TAAR1SMN1; SMN2CETPQPCTKMT2A
SCHEMBL631727 0.84 TAAR1 (0.57) TAAR1MAPT
SCHEMBL28154442 0.82 MAPT (0.56) TAAR1TSHRMAPTCRHBPCRHR2
SCHEMBL632904 0.81 TAAR1 (0.37) TAAR1CYP2D6MAPTCETPNR3C1
SCHEMBL632501 0.80 BCHE (0.40) TAAR1TSHRCYP2D6CRHBPCRHR2
SCHEMBL632302 0.79 HDAC6 (0.47) TAAR1MAPT
SCHEMBL14189361 0.74 TAAR1 (0.75) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP claimed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP claimed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US claimed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
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 TAAR1 419/4885TSHR 2098/4885CYP2D6 457/4885

“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.