Sugi Predict

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SCHEMBL6627463

SCHEMBL6627463

COC(=O)C1(C(N)=O)CC1Cc1ccc2[nH]cc(C#N)c2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 12/20 0.48
▸ PFKFB2 O60825 1/20 0.41
▸ PFKFB1 P16118 1/20 0.41
▸ PFKFB3 Q16875 1/20 0.41
▸ SLC6A2 P23975 4/20 0.38
▸ SLC6A3 Q01959 3/20 0.38
▸ XDH P47989 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ IMPDH2 P12268 1/20 0.32
▸ IMPDH1 P20839 1/20 0.32
▸ KDM1A O60341 1/20 0.32

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
SCHEMBL6083843 0.76 SLC6A4 (0.46) SLC6A4PFKFB2PFKFB1PFKFB3SLC6A2
SCHEMBL7222767 0.71 HTR1D (0.50) SLC6A4PFKFB2PFKFB1PFKFB3SLC6A2
SCHEMBL12121409 0.71 PFKFB2 (0.47) SLC6A4PFKFB2PFKFB1PFKFB3SLC6A2
SCHEMBL6627460 0.71 SLC6A4 (0.55) SLC6A4PFKFB2PFKFB1PFKFB3SLC6A2
SCHEMBL3600581 0.70 PFKFB2 (0.47) SLC6A4PFKFB2PFKFB1PFKFB3SLC6A2
SCHEMBL6627465 0.69 SLC6A4 (0.61) SLC6A4PFKFB2PFKFB1PFKFB3SLC6A2
SCHEMBL6626663 0.69 SLC6A4 (0.61) SLC6A4PFKFB2PFKFB1PFKFB3SLC6A2
SCHEMBL6627658 0.69 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL6084876 0.67 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3HTR1B
SCHEMBL6624753 0.66 SLC6A4 (0.64) SLC6A4PFKFB2PFKFB1PFKFB3SLC6A2

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 16/4885PFKFB2 2025/4885PFKFB1 1342/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C SLC6A4 10/4885PFKFB2 1471/4885PFKFB1 1229/4885

“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.