SCHEMBL6793289

SCHEMBL6793289

CC([C@@H]1C[C@H]1c1c[nH]c2ccc(C#N)cc12)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.55
SLC6A2 P23975 3/20 0.54
SLC6A3 Q01959 3/20 0.54
HTR1A P08908 1/20 0.48
DRD1 P21728 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
HTR6 P50406 1/20 0.48

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
SCHEMBL6626131 1.00 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6626542 0.81 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6631972 0.81 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6630148 0.81 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6626044 0.81 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6627557 0.78 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL8105894 0.78 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6625158 0.78 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6625160 0.78 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6628795 0.78 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3HTR1ADRD1

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-6777437-B2 ANTIDEPRESSANTS, ANXIOLYTIC AGENTS. SEXUAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US claimed
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-17 US claimed
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
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-17 US 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.