SCHEMBL19734401

SCHEMBL19734401

CSCC(CN)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.52
GABBR1 Q9UBS5 2/20 0.52
TAAR1 Q96RJ0 4/20 0.50
HTR2A P28223 3/20 0.50
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
HRH1 P35367 2/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A2 P23975 2/20 0.39
SCN4A P35499 2/20 0.38
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL6057707 0.86 TAAR1 (0.41) GABBR2GABBR1TAAR1HTR2AHRH1
SCHEMBL24878694 0.84 CHRNB2 (0.46) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL24879055 0.84 CHRNB2 (0.46) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL24878660 0.84 CHRNB2 (0.46) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL1539105 0.81 TAAR1 (0.65) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL9359334 0.80 LMNA (0.46) TAAR1HTR2AHRH1CYP2D6
Hydrochloric Acid SCHEMBL10676327 0.79 TAAR1 (0.62) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL429746 0.77 GABBR2 (0.55) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL429745 0.77 GABBR2 (0.55) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL2344157 0.77 GABBR2 (0.55) GABBR2GABBR1TAAR1HTR2ACHRNB2

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
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-05-14 US disclosed
US-10577363-B2 Substituted piperidine compounds Epizyme, Inc. (US) 2020-03-03 US disclosed
US-20170362217-A1 Substituted Piperidine Compounds Epizyme, Inc. (US) 2017-12-21 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 (3 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-10577363-B2 Substituted piperidine compounds SMYD3, SMYD2, SNRPD3 GABBR2 2012/4885GABBR1 2638/4885TAAR1 3266/4885
US-20170362217-A1 Substituted Piperidine Compounds SMYD3, SMYD2, SNRPD3 GABBR2 2012/4885GABBR1 2638/4885TAAR1 3266/4885
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SNRPD3 GABBR2 2062/4885GABBR1 2694/4885TAAR1 4062/4885

“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.