SCHEMBL1163398

SCHEMBL1163398

CN(C)CCc1c[nH]c2c(F)ccc(OCc3ccccc3)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.66
HTR1A P08908 3/20 0.57
TRPM8 Q7Z2W7 2/20 0.50
HTR1D P28221 1/20 0.50
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
LTA4H P09960 1/20 0.46
PLA2G2A P14555 1/20 0.46
SLC6A4 P31645 1/20 0.43
HTR6 P50406 2/20 0.43
TAAR1 Q96RJ0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL27189518 0.87 HTR2A (0.67) HTR2AHTR1ATRPM8HTR1DHTR2C
SCHEMBL27189554 0.86 HTR2A (0.64) HTR2AHTR1ATRPM8HTR1DHTR2C
SCHEMBL27189559 0.86 HTR2A (0.66) HTR2AHTR1ATRPM8HTR1DHTR2C
SCHEMBL27189585 0.86 HTR2A (0.66) HTR2AHTR1ATRPM8HTR1DHTR2C
SCHEMBL13480312 0.85 LTA4H (0.62) HTR2AHTR1ATRPM8HTR1DLTA4H
SCHEMBL4395931 0.84 HTR2A (0.57) HTR2AHTR1ATRPM8HTR1DHTR2C
SCHEMBL31708211 0.84 HTR2A (0.48) HTR2AHTR1ATRPM8LTA4HPLA2G2A
SCHEMBL27189549 0.83 HTR2A (0.62) HTR2AHTR1ATRPM8HTR1DLTA4H
SCHEMBL30712097 0.83 HTR2A (0.47) HTR2AHTR1ATRPM8HTR1DLTA4H
SCHEMBL27189566 0.82 HTR2A (0.61) HTR2AHTR1ATRPM8HTR1DHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 HTR2A 34/4885HTR1A 38/4885TRPM8 2766/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2A 34/4885HTR1A 38/4885TRPM8 2766/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2A 34/4885HTR1A 38/4885TRPM8 2766/4885

“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.