SCHEMBL6616375

SCHEMBL6616375

CCN(CC)CC1CC1c1csc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 10/20 0.75
▸ ALDH1A1 P00352 1/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ CYP2A6 P11509 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6613919 0.88 SLC6A4 (0.78) SLC6A4ALDH1A1DRD2SLC6A2SLC6A3
SCHEMBL6615645 0.86 SLC6A4 (1.00) SLC6A4DRD2SLC6A2SLC6A3CYP2A6
SCHEMBL6616255 0.78 SLC6A4 (0.63) SLC6A4ALDH1A1DRD2SLC6A2SLC6A3
SCHEMBL6613400 0.77 SLC6A4 (0.66) SLC6A4DRD2SLC6A2SLC6A3CYP2A6
SCHEMBL9381666 0.76 SLC6A4 (0.64) SLC6A4ALDH1A1DRD2SLC6A2SLC6A3
SCHEMBL9381661 0.76 SLC6A4 (0.64) SLC6A4ALDH1A1DRD2SLC6A2SLC6A3
SCHEMBL6616259 0.73 SLC6A4 (0.60) SLC6A4ALDH1A1DRD2SLC6A2CYP2A6
SCHEMBL6615099 0.72 SLC6A4 (0.59) SLC6A4ALDH1A1DRD2CYP2A6SMN1; SMN2
SCHEMBL1289737 0.71 SLC6A4 (0.67) SLC6A4
SCHEMBL6615485 0.66 SLC6A4 (0.51) SLC6A4ALDH1A1DRD2CYP2A6SMN1; SMN2

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 6 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
EP-1373203-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-02 — — EP disclosed
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-17 — — US disclosed
WO-2002079152-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 — — 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-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR1A, HTR1D, TPH1 SLC6A4 16/4885ALDH1A1 516/4885DRD2 30/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C SLC6A4 10/4885ALDH1A1 961/4885DRD2 21/4885

“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.

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