SCHEMBL1163754

SCHEMBL1163754

CN(C)CCc1cn(C)c2c(F)ccc(O)c12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.58
HTR2A P28223 12/20 0.58
HTR2B P41595 9/20 0.58
HTR1A P08908 3/20 0.57
TAAR1 Q96RJ0 1/20 0.41
HTR1D P28221 2/20 0.40
HTR6 P50406 2/20 0.40
HTR7 P34969 2/20 0.40
DRD1 P21728 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1E P28566 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
DRD3 P35462 1/20 0.40
HTR5A P47898 1/20 0.40

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
SCHEMBL13592771 0.88 HTR2C (0.49) HTR2CHTR2AHTR2BHTR1ATAAR1
Hydrochloric Acid SCHEMBL4394176 0.87 HTR2C (0.48) HTR2CHTR2AHTR2BHTR1ATAAR1
SCHEMBL3172608 0.85 HTR1A (0.50) HTR2CHTR2AHTR2BHTR1ATAAR1
SCHEMBL3173096 0.84 HTR2A (0.53) HTR2CHTR2AHTR2BHTR1ATAAR1
SCHEMBL3182797 0.84 HTR2A (0.64) HTR2CHTR2AHTR2BHTR1ATAAR1
SCHEMBL3176741 0.83 HTR2A (0.60) HTR2CHTR2AHTR2BHTR1ATAAR1
SCHEMBL3802896 0.82 HTR2C (0.50) HTR2CHTR2AHTR2BHTR1ATAAR1
SCHEMBL3176986 0.82 HTR2A (0.63) HTR2CHTR2AHTR2BHTR1ATAAR1
SCHEMBL27189534 0.81 HTR2A (0.56) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL3804057 0.81 HTR1A (0.46) HTR2CHTR2AHTR2BHTR1ATAAR1

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-7655691-B2 Indole compounds useful as serotonin selective agents ORGANIX, INC. 2010-02-02 US claimed
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-8071786-B2 Indole compounds useful as serotonin selective agents GALENEA CORP. (US) 2011-12-06 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
EP-2254865-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF ORGANIX, INC. (US) 2010-12-01 EP disclosed
US-20100137616-A1 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS SARD HOWARD P 2010-06-03 US disclosed
US-7655691-B2 Indole compounds useful as serotonin selective agents ORGANIX, INC. 2010-02-02 US disclosed
US-7655691-B2 Indole compounds useful as serotonin selective agents ORGANIX, INC. 2010-02-02 US disclosed
US-7655691-B2 Indole compounds useful as serotonin selective agents ORGANIX, INC. 2010-02-02 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
EP-1799640-A4 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS ORGANIX INC (US) 2009-09-02 EP disclosed
WO-2009102805-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF ORGANIX INC. (US) 2009-08-20 WO disclosed
EP-1799640-A2 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS Organix, Inc. (US) 2007-06-27 EP disclosed
US-20060100266-A1 Indole compounds useful as serotonin selective agents ORGANIX, INC. (US) 2006-05-11 US disclosed
WO-2006047032-A2 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS ORGANIX, INC. (US) 2006-05-04 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 (6 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 HTR2C 27/4885HTR2A 34/4885HTR2B 31/4885
US-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF IDO1, IDO2, INMT HTR2C 30/4885HTR2A 27/4885HTR2B 32/4885
US-20100137616-A1 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS TPH1, TPH2, AANAT HTR2C 15/4885HTR2A 11/4885HTR2B 16/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2C 27/4885HTR2A 34/4885HTR2B 31/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2C 27/4885HTR2A 34/4885HTR2B 31/4885
US-20060100266-A1 Indole compounds useful as serotonin selective agents TPH1, TPH2, AANAT HTR2C 15/4885HTR2A 11/4885HTR2B 16/4885

“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.