SCHEMBL6798513

SCHEMBL6798513

Fc1ccc2[nH]cc([C@@H]3C[C@H]3NCCOc3ccccc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.55
SLC6A4 P31645 6/20 0.55
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
HTR7 P34969 2/20 0.43
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
KDM1A O60341 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LTA4H P09960 1/20 0.41
PLA2G2A P14555 1/20 0.41
IDO1 P14902 3/20 0.41
CYP2C19 P33261 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL6617902 0.85 SLC6A4 (0.53) SLC6A4
SCHEMBL6793497 0.84 HTR2A (0.53) HTR1ASLC6A4HTR2AHTR2CHTR2B
SCHEMBL6793492 0.84 HTR2A (0.53) HTR1ASLC6A4HTR2AHTR2CHTR2B
SCHEMBL6801860 0.80 HTR1A (0.47) HTR1ASLC6A4HTR2AHTR2CHTR2B
SCHEMBL6801858 0.80 HTR1A (0.47) HTR1ASLC6A4HTR2AHTR2CHTR2B
SCHEMBL6798636 0.79 HTR1A (0.55) HTR1ASLC6A4HTR2AHTR2CHTR2B
SCHEMBL6798638 0.79 HTR1A (0.55) HTR1ASLC6A4HTR2AHTR2CHTR2B
SCHEMBL6801807 0.78 HTR2A (0.48) HTR1ASLC6A4HTR2AHTR2CHTR2B
SCHEMBL6801805 0.78 HTR2A (0.48) HTR1ASLC6A4HTR2AHTR2CHTR2B
SCHEMBL6672393 0.73 HTR2A (0.53) HTR1ASLC6A4HTR2AHTR2CHTR2B

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 4 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
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 HTR1A 1/4885SLC6A4 16/4885HTR2A 22/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C HTR1A 2/4885SLC6A4 10/4885HTR2A 18/4885

“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.