SCHEMBL3176986

SCHEMBL3176986

CCCCn1cc(CCN(C)C)c2c(O)ccc(F)c21

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.63
HTR2C P28335 9/20 0.63
HTR2B P41595 6/20 0.63
HTR1A P08908 3/20 0.50
ICMT O60725 2/20 0.40
TAAR1 Q96RJ0 1/20 0.36
HTR6 P50406 3/20 0.36
DRD1 P21728 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1E P28566 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
HTR5A P47898 1/20 0.35
DNM2 P50570 2/20 0.33

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
SCHEMBL3173096 0.93 HTR2A (0.53) HTR2AHTR2CHTR2BHTR1AICMT
SCHEMBL3182797 0.88 HTR2A (0.64) HTR2AHTR2CHTR2BHTR1ATAAR1
SCHEMBL3176741 0.87 HTR2A (0.60) HTR2AHTR2CHTR2BHTR1ATAAR1
SCHEMBL1163754 0.82 HTR2C (0.58) HTR2AHTR2CHTR2BHTR1ATAAR1
SCHEMBL3177851 0.81 HTR1A (0.47) HTR2AHTR2CHTR2BHTR1ATAAR1
SCHEMBL3184470 0.80 HTR2A (0.64) HTR2AHTR2CHTR2BHTR1AICMT
SCHEMBL1163325 0.80 HTR6 (0.52) HTR2AHTR2CHTR2BHTR1ATAAR1
SCHEMBL23805226 0.78 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AICMT
SCHEMBL3183284 0.77 HTR2A (0.46) HTR2AHTR2CHTR2BICMTTAAR1
SCHEMBL3172608 0.76 HTR1A (0.50) HTR2AHTR2CHTR2BHTR1ATAAR1

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 8 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-8071786-B2 Indole compounds useful as serotonin selective agents GALENEA CORP. (US) 2011-12-06 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
EP-1799640-A4 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS ORGANIX INC (US) 2009-09-02 EP 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 (2 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-20100137616-A1 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS TPH1, TPH2, AANAT HTR2A 11/4885HTR2C 15/4885HTR2B 16/4885
US-20060100266-A1 Indole compounds useful as serotonin selective agents TPH1, TPH2, AANAT HTR2A 11/4885HTR2C 15/4885HTR2B 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.