SCHEMBL3086295

SCHEMBL3086295

Cc1cccc2c1C[C@H]1CCNC[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.45
HTR2B P41595 4/20 0.40
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2A P28223 3/20 0.38
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
SCHEMBL3086298 1.00 HTR2C (0.45) HTR2CHTR2BADRA2ADRD2ADRA2B
SCHEMBL3078319 0.77 MAPT (0.36) HTR2CHTR2BADRA2ADRD2ADRA2B
SCHEMBL3078322 0.77 MAPT (0.36) HTR2CHTR2BADRA2ADRD2ADRA2B
SCHEMBL29613747 0.73 HTR2C (0.42) HTR2CHTR2BHTR2AKDM1A
SCHEMBL1047199 0.73 HTR2C (0.42) HTR2CHTR2BHTR2AKDM1A
SCHEMBL3075004 0.73 HTR2C (0.44) HTR2CHTR2BADRA2ADRD2ADRA2B
SCHEMBL3075007 0.73 HTR2C (0.44) HTR2CHTR2BADRA2ADRD2ADRA2B
SCHEMBL3090108 0.71 MAPT (0.50) DRD2
SCHEMBL3090113 0.71 MAPT (0.50) DRD2
SCHEMBL1844186 0.69 HTR2C (0.48) HTR2CHTR2BHTR2AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US claimed
US-7795436-B2 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-14 US disclosed
US-7795436-B2 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-14 US disclosed
US-7795436-B2 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-14 US disclosed
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US disclosed
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US disclosed
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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 (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-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists HTR2B, HTR2C, HTR1A HTR2C 2/4885HTR2B 1/4885ADRA2A 220/4885

“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.