SCHEMBL6627658

SCHEMBL6627658

CCOC(=O)C1CC1Cc1ccc2[nH]cc(C#N)c2c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.58
CA1 P00915 9/20 0.54
CA2 P00918 9/20 0.54
CA9 Q16790 7/20 0.54
CA12 O43570 6/20 0.54
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 2/20 0.39

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
SCHEMBL6626663 0.85 SLC6A4 (0.61) SLC6A4CA1CA2CA9CA12
SCHEMBL6627465 0.82 SLC6A4 (0.61) SLC6A4CA1CA2CA9CA12
SCHEMBL6631792 0.81 SLC6A4 (0.43) SLC6A4GABRA1GABRB2SLC6A2SLC6A3
SCHEMBL6627460 0.81 SLC6A4 (0.55) SLC6A4CA1CA2CA9CA12
SCHEMBL6625599 0.78 SLC6A4 (0.40) SLC6A4GABRA1GABRB2SLC6A2SLC6A3
SCHEMBL6085863 0.76 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL6085857 0.76 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL6085855 0.76 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL6624753 0.75 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3
SCHEMBL6629506 0.73 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3

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 16/4885CA1 3960/4885CA2 4791/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C SLC6A4 10/4885CA1 4553/4885CA2 4773/4885

“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.