SCHEMBL6615099

SCHEMBL6615099

c1ccc2c(C3CC3CN3CCCC3)csc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.59
▸ CHRNA7 P36544 1/20 0.54
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ DRD2 P14416 2/20 0.47
▸ UTS2R Q9UKP6 5/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ DRD4 P21917 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP2A6 P11509 2/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 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
SCHEMBL6615645 0.74 SLC6A4 (1.00) SLC6A4DRD2CYP2A6
SCHEMBL6613400 0.74 SLC6A4 (0.66) SLC6A4CHRNA7CRHBPCRHR2SMN1; SMN2
SCHEMBL6613919 0.74 SLC6A4 (0.78) SLC6A4DRD2ALDH1A1CYP2A6
SCHEMBL6616259 0.73 SLC6A4 (0.60) SLC6A4CHRNA7DRD2ALDH1A1CYP2A6
SCHEMBL6616255 0.72 SLC6A4 (0.63) SLC6A4CHRNA7CRHBPCRHR2SMN1; SMN2
SCHEMBL6616375 0.72 SLC6A4 (0.75) SLC6A4SMN1; SMN2DRD2ALDH1A1CYP2A6
SCHEMBL10210828 0.71 CHRNA7 (0.97) CHRNA7CRHBPCRHR2SMN1; SMN2DRD2
SCHEMBL9381661 0.71 SLC6A4 (0.64) SLC6A4DRD2ALDH1A1CYP2A6KMT2A
SCHEMBL9381666 0.71 SLC6A4 (0.64) SLC6A4DRD2ALDH1A1CYP2A6KMT2A
SCHEMBL807363 0.70 CHRNA7 (1.00) CHRNA7CRHBPCRHR2SMN1; SMN2DRD2

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 16/4885CHRNA7 525/4885CRHBP 795/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C SLC6A4 10/4885CHRNA7 489/4885CRHBP 460/4885

“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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