SCHEMBL1843690

SCHEMBL1843690

CSc1cccc2c1N[C@@H]1CCNC[C@H]21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.40
HTR2C P28335 8/20 0.40
HTR2B P41595 8/20 0.40
SLC6A2 P23975 11/20 0.38
SLC6A4 P31645 11/20 0.38
SLC6A3 Q01959 8/20 0.38
KCNH2 Q12809 1/20 0.36

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
SCHEMBL13688252 1.00 HTR2A (0.40) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL5132477 1.00 HTR2A (0.40) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL13688249 0.83 HTR2C (0.40) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL3863376 0.83 HTR2C (0.40) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL3860709 0.82 HTR1A (0.40) HTR2AHTR2CHTR2B
SCHEMBL3856531 0.82 HTR1A (0.40) HTR2AHTR2CHTR2B
SCHEMBL3860706 0.82 HTR1A (0.40) HTR2AHTR2CHTR2B
SCHEMBL3856535 0.82 HTR1A (0.40) HTR2AHTR2CHTR2B
SCHEMBL3856526 0.82 HTR1A (0.40) HTR2AHTR2CHTR2B
SCHEMBL1844188 0.81 HTR2C (0.48) HTR2AHTR2CHTR2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581221-B1 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-05-18 EP disclosed
US-7592454-B2 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-7109339-B2 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-20050239768-A1 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2005-10-27 US disclosed
US-20040180875-A1 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 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-20040180875-A1 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists HTR1A, HTR7, HTR5A HTR2A 13/4885HTR2C 4/4885HTR2B 7/4885
US-20050239768-A1 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists HTR1A, HTR7, HTR1D HTR2A 16/4885HTR2C 18/4885HTR2B 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.