SCHEMBL632671

SCHEMBL632671

c1ccc(N(Cc2c[nH]cn2)CC2CCCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.39
OXTR P30559 3/20 0.38
AVPR1A P37288 2/20 0.38
ALDH1A1 P00352 7/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KCNH3 Q9ULD8 1/20 0.34

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
SCHEMBL631366 0.83 SLC6A3 (0.33) FFAR2KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL14189369 0.76 TAAR1 (0.55)
SCHEMBL10473220 0.74 ALDH1A1 (0.49) OXTRAVPR1AALDH1A1HPGDMEN1
SCHEMBL631574 0.68 TAAR1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL631933 0.67 TAAR1 (0.46) NPSR1MAPT
SCHEMBL632172 0.67 KCNA5 (0.38) ALDH1A1HPGDMEN1KMT2ACYP3A4
SCHEMBL327503 0.65 KMT2A (0.66) OXTRAVPR1AALDH1A1HPGDMEN1
SCHEMBL28473805 0.65 OXTR (0.50) OXTRAVPR1AALDH1A1HPGDMEN1
SCHEMBL28476929 0.65 OXTR (0.50) OXTRAVPR1AALDH1A1HPGDMEN1
SCHEMBL28473802 0.65 OXTR (0.50) OXTRAVPR1AALDH1A1HPGDMEN1

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 FFAR2 2983/4885OXTR 1000/4885AVPR1A 1114/4885

“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.