SCHEMBL1163155

SCHEMBL1163155

CN(C)CCc1c[nH]c2ccc(F)c(OCc3ccccc3)c12

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.67
HTR1D P28221 4/20 0.60
TRPM8 Q7Z2W7 2/20 0.60
HTR2C P28335 5/20 0.57
HTR2B P41595 4/20 0.57
HTR1A P08908 7/20 0.53
SLC6A4 P31645 2/20 0.52
HTR6 P50406 2/20 0.49
DRD1 P21728 1/20 0.48
HTR1B P28222 1/20 0.48
HTR1E P28566 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
HTR7 P34969 1/20 0.48
DRD3 P35462 1/20 0.48
HTR5A P47898 1/20 0.48
MPO P05164 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL1163214 0.84 HTR2A (0.46) HTR2AHTR1DTRPM8HTR2CHTR1A
SCHEMBL4395931 0.82 HTR2A (0.57) HTR2AHTR1DTRPM8HTR2CHTR2B
SCHEMBL25434919 0.82 HTR1A (0.67) HTR2AHTR1DHTR2CHTR2BHTR1A
SCHEMBL30483758 0.82 HTR1A (0.67) HTR2AHTR1DHTR2CHTR2BHTR1A
SCHEMBL25281662 0.81 HTR2A (0.74) HTR2AHTR1DTRPM8HTR2CHTR2B
SCHEMBL29511892 0.81 HTR2A (1.00) HTR2AHTR1DTRPM8HTR2CHTR2B
SCHEMBL12558834 0.81 HTR2A (1.00) HTR2AHTR1DTRPM8HTR2CHTR2B
SCHEMBL1163398 0.80 HTR2A (0.66) HTR2AHTR1DTRPM8HTR2CHTR2B
SCHEMBL8544006 0.80 HTR2A (0.73) HTR2AHTR1DTRPM8HTR2CHTR2B
SCHEMBL16303671 0.79 HTR2A (0.42) HTR2AHTR1DTRPM8HTR1ASLC6A4

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 10 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-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
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
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO disclosed
EP-2254865-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF ORGANIX, INC. (US) 2010-12-01 EP disclosed
US-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-24 US disclosed
US-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-24 US disclosed
WO-2009102805-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF ORGANIX INC. (US) 2009-08-20 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 (4 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 34/4885HTR1D 154/4885TRPM8 2766/4885
US-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF IDO1, IDO2, INMT HTR2A 27/4885HTR1D 50/4885TRPM8 2894/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2A 34/4885HTR1D 154/4885TRPM8 2766/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2A 34/4885HTR1D 154/4885TRPM8 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.