SCHEMBL1844191

SCHEMBL1844191

Cc1cccc2c1N[C@H]1CCNC[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.48
HTR2A P28223 6/20 0.48
HTR2B P41595 6/20 0.48
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM1A O60341 1/20 0.38

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
SCHEMBL1844186 1.00 HTR2C (0.48) HTR2CHTR2AHTR2BMEN1ALDH1A1
SCHEMBL1844188 1.00 HTR2C (0.48) HTR2CHTR2AHTR2BMEN1ALDH1A1
SCHEMBL3863376 0.84 HTR2C (0.40) HTR2CHTR2AHTR2BKDM1A
SCHEMBL13688249 0.84 HTR2C (0.40) HTR2CHTR2AHTR2BKDM1A
SCHEMBL13330120 0.81 HTR2B (0.38) HTR2CHTR2AHTR2BKDM1A
SCHEMBL29963760 0.81 HTR2B (0.38) HTR2CHTR2AHTR2BKDM1A
SCHEMBL21699940 0.81 HTR2B (0.38) HTR2CHTR2AHTR2BKDM1A
SCHEMBL3310317 0.81 HTR2B (0.38) HTR2CHTR2AHTR2BKDM1A
SCHEMBL8156059 0.81 HTR2C (0.51) HTR2CHTR2AHTR2B
SCHEMBL3312184 0.81 HTR2B (0.38) HTR2CHTR2AHTR2BKDM1A

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
EP-1581221-B1 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-05-18 EP disclosed
EP-1581221-A4 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-11-26 EP disclosed
US-7109339-B2 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
EP-1581221-A2 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
US-20040180875-A1 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
WO-2004056324-A2 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-08 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 (1 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 HTR2C 4/4885HTR2A 13/4885HTR2B 7/4885

“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.