SCHEMBL3183284

SCHEMBL3183284

CCCCn1cc(CCN(C)C)c2c(OCc3ccccc3)ccc(F)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.46
HTR2C P28335 4/20 0.46
HTR2B P41595 2/20 0.46
HTR6 P50406 4/20 0.39
HTR1D P28221 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TLR4 O00206 1/20 0.38
TLR3 O15455 1/20 0.38
TLR5 O60602 1/20 0.38
TLR2 O60603 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
CAMK1 Q14012 1/20 0.38
CAMK4 Q16566 1/20 0.38
PNCK Q6P2M8 1/20 0.38
CAMK1D Q8IU85 1/20 0.38
CAMK1G Q96NX5 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL3806838 0.94 HTR2A (0.47) HTR2AHTR2CHTR2BHTR6HTR1D
SCHEMBL16509893 0.90 HTR2A (0.47) HTR2AHTR2CHTR6HTR1DTRPM8
SCHEMBL3804876 0.90 HTR2A (0.48) HTR2AHTR2CHTR6HTR1DTRPM8
SCHEMBL1163144 0.88 HTR2A (0.48) HTR2AHTR6HTR1DTRPM8TAAR1
SCHEMBL1163485 0.85 HTR2A (0.50) HTR2AHTR2CHTR2BHTR6HTR1D
SCHEMBL12595655 0.85 HTR6 (0.46) HTR2AHTR2CHTR2BHTR6TAAR1
SCHEMBL17147641 0.84 HTR2A (0.49) HTR2AHTR6HTR1DTRPM8TAAR1
SCHEMBL3177259 0.83 HTR2A (0.47) HTR2AHTR2CHTR2BHTR6HTR1D
SCHEMBL1163387 0.83 HTR2A (0.42) HTR2AHTR6HTR1DTRPM8TAAR1
SCHEMBL23805220 0.82 HTR2A (0.65) HTR2AHTR2CHTR2BHTR6TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.