SCHEMBL3078322

SCHEMBL3078322

Cc1cc(-c2ccccc2)cc2c1CC1CCNCC21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR2C P28335 3/20 0.35
HTR2A P28223 3/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL3078319 1.00 MAPT (0.36) MAPTPKMADRA2ADRD2ADRA2B
SCHEMBL3086298 0.77 HTR2C (0.45) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL3086295 0.77 HTR2C (0.45) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL3072579 0.75 MAPT (0.39) MAPTSIGMAR1
SCHEMBL3072580 0.75 MAPT (0.39) MAPTSIGMAR1
SCHEMBL3072767 0.74 HTR2A (0.35) HTR2BHTR2CHTR2A
SCHEMBL3072765 0.74 HTR2A (0.35) HTR2BHTR2CHTR2A
SCHEMBL13627326 0.70 HTR2C (0.33) MAPTHTR2BHTR2CHTR2A
SCHEMBL4483043 0.70 HTR2C (0.33) MAPTHTR2BHTR2CHTR2A
SCHEMBL3086546 0.69 ALDH1A1 (0.42) MAPT

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-7795436-B2 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-14 US claimed
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-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 MAPT 2411/4885PKM 1572/4885ADRA2A 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.