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Sugi Predict / Compounds / SCHEMBL6627460

SCHEMBL6627460

SCHEMBL6627460

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 11/20 0.55
▸ SLC6A2 P23975 3/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ PFKFB2 O60825 1/20 0.39
▸ PFKFB1 P16118 1/20 0.39
▸ PFKFB3 Q16875 1/20 0.39
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ CA12 O43570 3/20 0.37
▸ XDH P47989 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
SCHEMBL6626663 0.82 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3PFKFB2PFKFB1
SCHEMBL6627465 0.81 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3PFKFB2PFKFB1
SCHEMBL6627658 0.81 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3CA1CA2
SCHEMBL6083828 0.80 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3PFKFB2PFKFB1
SCHEMBL6083831 0.80 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3PFKFB2PFKFB1
SCHEMBL6624753 0.73 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3PFKFB2PFKFB1
SCHEMBL6629506 0.71 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL12121409 0.71 PFKFB2 (0.47) SLC6A4SLC6A2SLC6A3PFKFB2PFKFB1
SCHEMBL6627463 0.71 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3PFKFB2PFKFB1
SCHEMBL6084870 0.70 SLC6A4 (0.57) 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 16/4885SLC6A2 85/4885SLC6A3 46/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C SLC6A4 10/4885SLC6A2 48/4885SLC6A3 34/4885

“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.