SCHEMBL2884008

SCHEMBL2884008

CN(Cc1cc(Br)ccc1O)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
SOS1 Q07889 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
CACNA1G O43497 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
RIPK1 Q13546 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
CES2 O00748 1/20 0.37
GALR3 O60755 1/20 0.37
CYP1A2 P05177 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
SCHEMBL18719607 0.90 POLB (0.43) POLBAAK1SOS1MEN1KMT2A
SCHEMBL20054017 0.89 POLB (0.42) POLBAAK1SOS1MEN1KMT2A
SCHEMBL31163069 0.89 POLB (0.42) POLBAAK1SOS1MEN1KMT2A
SCHEMBL29211248 0.87 ALDH1A1 (0.43) HPGDALDH1A1POLBAAK1SOS1
SCHEMBL20461244 0.85 POLB (0.40) POLBAAK1SOS1MEN1KMT2A
SCHEMBL25211795 0.84 PYCR1 (0.46) POLBAAK1SOS1MEN1KMT2A
SCHEMBL16794066 0.84 AAK1 (0.45) POLBAAK1SOS1MEN1KMT2A
SCHEMBL12068165 0.83 RIPK1 (0.47) POLBAAK1SOS1HTR2CSLC6A4
SCHEMBL31137753 0.83 RIPK1 (0.47) POLBAAK1SOS1HTR2CSLC6A4
SCHEMBL21494224 0.83 RIPK1 (0.50) HTR2CSLC6A4ANO1CACNA1GCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256122-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-10-07 US disclosed
US-7767666-B2 Butyl and butynyl benzyl amine compounds JANSSEN PHARMACEUTICA NV (BE) 2010-08-03 US disclosed
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-05-28 US disclosed
EP-2049473-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-22 EP disclosed
EP-2049466-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-22 EP disclosed
EP-2046747-A1 SUBSTITUTED AMINOMETHYL BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-15 EP disclosed
US-7479493-B2 Substituted benzyl amine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-20 US disclosed
US-20080045508-A1 SUBSTITUTED AMINOMETHYL BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
WO-2008002818-A1 SUBSTITUTED AMINOMETHYL BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO disclosed
US-20080004258-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 US disclosed
WO-2008002820-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO disclosed
WO-2008002817-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 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 (5 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-20080004258-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 HPGD 951/4885ALDH1A1 2307/4885HTT 367/4885
US-20100256122-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 HPGD 951/4885ALDH1A1 2307/4885HTT 367/4885
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 HPGD 1004/4885ALDH1A1 1869/4885HTT 319/4885
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 HPGD 1004/4885ALDH1A1 1869/4885HTT 319/4885
US-20080045508-A1 SUBSTITUTED AMINOMETHYL BENZAMIDE COMPOUNDS HNMT, HRH3, HRH4 HPGD 1645/4885ALDH1A1 1840/4885HTT 447/4885

“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.