SCHEMBL6800149

SCHEMBL6800149

COc1cccc(CNCC2CC2c2c[nH]c3ccc(F)cc23)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.68
HTR2A P28223 13/20 0.68
SLC6A4 P31645 4/20 0.53
KMT2A Q03164 1/20 0.47
HTR2B P41595 6/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL6615634 1.00 HTR2C (0.68) HTR2CHTR2ASLC6A4KMT2AHTR2B
SCHEMBL6618285 0.89 HTR2C (0.66) HTR2CHTR2ASLC6A4HTR2BKCNH2
SCHEMBL6618284 0.89 HTR2C (0.66) HTR2CHTR2ASLC6A4HTR2BKCNH2
SCHEMBL6616323 0.89 SLC6A4 (0.57) HTR2CHTR2ASLC6A4HTR2BKCNH2
SCHEMBL6793476 0.89 SLC6A4 (0.57) HTR2CHTR2ASLC6A4HTR2BKCNH2
SCHEMBL6798044 0.86 SLC6A4 (0.55) HTR2CHTR2ASLC6A4KMT2A
SCHEMBL6627265 0.86 SLC6A4 (0.55) HTR2CHTR2ASLC6A4KMT2A
SCHEMBL6804950 0.83 SLC6A4 (0.60) HTR2CHTR2ASLC6A4HTR2B
SCHEMBL6618289 0.83 SLC6A4 (0.60) HTR2CHTR2ASLC6A4HTR2B
SCHEMBL6670070 0.82 HTR2A (0.69) HTR2CHTR2ASLC6A4HTR2BKCNH2

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 HTR2C 9/4885HTR2A 22/4885SLC6A4 16/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C HTR2C 3/4885HTR2A 18/4885SLC6A4 10/4885

“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.