SCHEMBL1163355

SCHEMBL1163355

CNCCc1cn(C)c2ccc(F)c(OCc3ccc(C)cc3)c12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.35
PRMT1 Q99873 1/20 0.35
TP53 P04637 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
HTR2C P28335 3/20 0.34
SLC6A4 P31645 3/20 0.34
HTR2A P28223 2/20 0.34
ADRB2 P07550 2/20 0.33
NQO2 P16083 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
SNCA P37840 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
SPR P35270 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL1163145 0.92 TAAR1 (0.42) CARM1TP53TAAR1HTR2CSLC6A4
SCHEMBL1163258 0.91 TAAR1 (0.41) CARM1PRMT1TAAR1HTR2CSLC6A4
SCHEMBL19650679 0.90 TAAR1 (0.40) CARM1TAAR1HTR2CSLC6A4SNCA
SCHEMBL1163086 0.86 NQO2 (0.34) TAAR1ADRB2NQO2MTNR1AMTNR1B
SCHEMBL1163322 0.84 TAAR1 (0.44) CARM1TP53TAAR1HTR2CSLC6A4
SCHEMBL1163327 0.83 TAAR1 (0.50) CARM1TP53TAAR1HTR2CSLC6A4
SCHEMBL1162963 0.83 TAAR1 (0.46) CARM1PRMT1TAAR1SLC6A4SNCA
SCHEMBL1163093 0.82 TAAR1 (0.43) CARM1PRMT1TAAR1HTR2CSLC6A4
SCHEMBL1162935 0.81 SLC6A4 (0.38) TAAR1HTR2CSLC6A4HTR2AADRB2
SCHEMBL1163043 0.81 TAAR1 (0.39) TP53TAAR1SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US claimed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP claimed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US claimed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO claimed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 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 (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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT CARM1 1702/4885PRMT1 1614/4885TP53 623/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT CARM1 1702/4885PRMT1 1614/4885TP53 623/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT CARM1 1702/4885PRMT1 1614/4885TP53 623/4885

“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.