SCHEMBL3085125

SCHEMBL3085125

Cc1ccc2c(c1)C1CNCCC1C2=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.41
HTR2A P28223 6/20 0.40
HTR2B P41595 6/20 0.40
HTR6 P50406 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
ACHE P22303 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL3085122 1.00 HTR2C (0.41) HTR2CHTR2AHTR2BHTR6CHRNB2
SCHEMBL6644276 0.82 NOS3 (0.47) PARP10PARP11KMT2AACHECA1
SCHEMBL3075858 0.74 HTR2C (0.39) HTR2CHTR2AHTR2BKMT2A
SCHEMBL3075861 0.74 HTR2C (0.39) HTR2CHTR2AHTR2BKMT2A
SCHEMBL3445529 0.69 HTR2C (0.68) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL31521243 0.68 SLC6A1 (0.32) HTR2CHTR2A
SCHEMBL1895364 0.68 HTR2C (0.43) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL11834071 0.68 HTR2C (0.42) HTR2CHTR2AHTR2BHTR6CHRNB2
SCHEMBL29400162 0.68 HTR2C (0.42) HTR2CHTR2AHTR2BHTR6CHRNB2
SCHEMBL11840313 0.66 HTR2C (0.40) HTR2CHTR2AHTR2BHTR6CHRNB2

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 3 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-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 2/4885HTR2A 8/4885HTR2B 1/4885

“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.