SCHEMBL6794413

SCHEMBL6794413

CCN(CC)[C@@H]1C[C@H]1c1c[nH]c2ccc(F)cc12

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.65
HTR2A P28223 3/20 0.60
HTR2C P28335 1/20 0.60
HTR2B P41595 1/20 0.60
HTR1A P08908 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR1B P28222 1/20 0.52
SLC6A3 Q01959 1/20 0.52
MPO P05164 2/20 0.49
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
IDO1 P14902 1/20 0.45

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
SCHEMBL6614633 1.00 SLC6A4 (0.65) SLC6A4HTR2AHTR2CHTR2BHTR1A
SCHEMBL6617005 0.81 SLC6A4 (0.67) SLC6A4HTR2AHTR1ADRD1SLC6A2
SCHEMBL6800869 0.81 SLC6A4 (0.67) SLC6A4HTR2AHTR1ADRD1SLC6A2
SCHEMBL6651454 0.81 SLC6A4 (0.79) SLC6A4HTR2AHTR2CHTR2BHTR1A
SCHEMBL6651456 0.81 SLC6A4 (0.79) SLC6A4HTR2AHTR2CHTR2BHTR1A
SCHEMBL6800795 0.81 SLC6A4 (0.79) SLC6A4HTR2AHTR2CHTR2BHTR1A
SCHEMBL6798516 0.81 SLC6A4 (0.52) SLC6A4HTR2AHTR2CHTR2BHTR1A
SCHEMBL6800927 0.79 SLC6A4 (0.80) SLC6A4HTR2AHTR2CHTR2BHTR1A
SCHEMBL6643258 0.79 SLC6A4 (0.80) SLC6A4HTR2AHTR2CHTR2BHTR1A
SCHEMBL6643261 0.79 SLC6A4 (0.80) SLC6A4HTR2AHTR2CHTR2BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6822100-B2 REACTING N-SULFONYL-3-VINYLINDOLE WITH RUTHENIUM COMPLEX IN PRESENCE OF ETHYL DIAZOACETATE AND TOLUENE; PSYCHOLOGICAL, SEXUAL, AND EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-11-23 US disclosed
US-6777437-B2 ANTIDEPRESSANTS, ANXIOLYTIC AGENTS. SEXUAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors MATTSON RONALD J (US) 2004-07-22 US disclosed
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-17 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-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR1A, HTR1D, TPH1 SLC6A4 16/4885HTR2A 22/4885HTR2C 9/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C SLC6A4 10/4885HTR2A 18/4885HTR2C 3/4885

“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.