SCHEMBL3177004

SCHEMBL3177004

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

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.65
HTR2B P41595 7/20 0.65
HTR2A P28223 9/20 0.53
HTR1A P08908 3/20 0.48
TAAR1 Q96RJ0 1/20 0.35
HTR6 P50406 3/20 0.34
HTR1D P28221 1/20 0.33
INPPL1 O15357 2/20 0.32
AKT1 P31749 1/20 0.32
INPP5A Q14642 1/20 0.32

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
SCHEMBL30681655 1.00 HTR2C (0.65) HTR2CHTR2BHTR2AHTR1ATAAR1
SCHEMBL31188169 0.87 HTR2C (0.59) HTR2CHTR2BHTR2AHTR1ATAAR1
SCHEMBL3176621 0.87 HTR2C (0.59) HTR2CHTR2BHTR2AHTR1ATAAR1
SCHEMBL3804057 0.83 HTR1A (0.46) HTR2CHTR2BHTR2AHTR1ATAAR1
SCHEMBL3804505 0.81 HTR2C (0.41) HTR2CHTR2BHTR2AHTR1ATAAR1
SCHEMBL13592771 0.79 HTR2C (0.49) HTR2CHTR2BHTR2AHTR1ATAAR1
SCHEMBL30356554 0.79 HTR2C (1.00) HTR2CHTR2BHTR2AHTR1AHTR6
SCHEMBL29405683 0.79 HTR2C (1.00) HTR2CHTR2BHTR2AHTR1AHTR6
SCHEMBL3792128 0.79 HTR2C (0.40) HTR2CHTR2BHTR2AHTR1ATAAR1
Hydrochloric Acid SCHEMBL4394176 0.78 HTR2C (0.48) HTR2CHTR2BHTR2AHTR1ATAAR1

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 7 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
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-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 (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 HTR2C 15/4885HTR2B 16/4885HTR2A 11/4885
US-20060100266-A1 Indole compounds useful as serotonin selective agents TPH1, TPH2, AANAT HTR2C 15/4885HTR2B 16/4885HTR2A 11/4885

“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.