SCHEMBL1163485

SCHEMBL1163485

CN(C)CCc1cn(C)c2c(F)ccc(OCc3ccccc3)c12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.50
HTR1D P28221 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
HTR6 P50406 3/20 0.39
KDM1A O60341 2/20 0.39
EGFR P00533 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL3182087 0.88 HTR2A (0.47) HTR2AHTR1DTRPM8TAAR1HTR6
SCHEMBL17147641 0.88 HTR2A (0.49) HTR2AHTR1DTRPM8TAAR1HTR6
SCHEMBL13319619 0.87 KDM1A (0.43) HTR2ATRPM8KDM1A
SCHEMBL3806838 0.87 HTR2A (0.47) HTR2AHTR1DTRPM8HTR2CHTR2B
SCHEMBL16509893 0.87 HTR2A (0.47) HTR2AHTR1DTRPM8HTR2CTAAR1
SCHEMBL1163144 0.87 HTR2A (0.48) HTR2AHTR1DTRPM8TAAR1HTR6
SCHEMBL3804876 0.87 HTR2A (0.48) HTR2AHTR1DTRPM8HTR2CTAAR1
SCHEMBL3183284 0.85 HTR2A (0.46) HTR2AHTR1DTRPM8HTR2CHTR2B
SCHEMBL3804505 0.84 HTR2C (0.41) HTR2AHTR1DHTR2CHTR2BTAAR1
SCHEMBL4397110 0.84 HTR2A (0.42) HTR2AHTR1DTRPM8HTR2CHTR2B

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 18 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-8071786-B2 Indole compounds useful as serotonin selective agents GALENEA CORP. (US) 2011-12-06 US disclosed
US-8071786-B2 Indole compounds useful as serotonin selective agents GALENEA CORP. (US) 2011-12-06 US 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-20100137616-A1 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS SARD HOWARD P 2010-06-03 US 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-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
US-20060100266-A1 Indole compounds useful as serotonin selective agents ORGANIX, INC. (US) 2006-05-11 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 (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 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-20100137616-A1 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS TPH1, TPH2, AANAT HTR2A 11/4885HTR1D 21/4885TRPM8 1372/4885
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
US-20060100266-A1 Indole compounds useful as serotonin selective agents TPH1, TPH2, AANAT HTR2A 11/4885HTR1D 21/4885TRPM8 1372/4885

“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.