SCHEMBL15466517

SCHEMBL15466517

C1=Cn2c(cc3ccccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
HTR2A P28223 5/20 0.40
HTR2C P28335 5/20 0.40
KMT2A Q03164 1/20 0.31
DAO P14920 1/20 0.30

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
SCHEMBL1873666 0.81 NOTUM (0.42) NOTUMHTR2AHTR2CKMT2ADAO
Hydroxyamine SCHEMBL9656514 0.76 NOTUM (0.39) NOTUMHTR2AHTR2CKMT2ADAO
SCHEMBL11209350 0.74 NOTUM (0.40) NOTUMHTR2AHTR2C
SCHEMBL10960778 0.74 NOTUM (0.37) NOTUMHTR2AHTR2C
SCHEMBL11209343 0.74 NOTUM (0.40) NOTUMHTR2AHTR2C
Benzoquinone SCHEMBL6697569 0.73 NOTUM (0.42) NOTUMHTR2AHTR2CDAO
SCHEMBL3050639 0.69 HTR2A (0.44) NOTUMHTR2AHTR2CKMT2A
SCHEMBL10917532 0.69 HTR2A (0.39) NOTUMHTR2AHTR2CKMT2A
SCHEMBL3203383 0.67 NOTUM (0.37) NOTUMHTR2AHTR2C
SCHEMBL4500824 0.67 HTR2A (0.34) NOTUMHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096595-B2 7-(heteroaryl-amino)-6,7,8,9-tetrahydropyrido[1,2-a]indol acetic acid derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD (CH) 2015-08-04 US disclosed
US-20140045870-A1 7-(Heteroaryl-Amino)-6,7,8,9-Tetrahydropyrido[1,2-A]Indol Acetic Acid Derivatives and Their Use as Prostaglandin D2 Receptor Modulators ACTELION PHARMACEUTICALS LTD. (CH) 2014-02-13 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-20140045870-A1 7-(Heteroaryl-Amino)-6,7,8,9-Tetrahydropyrido[1,2-A]Indol Acetic Acid Derivatives and Their Use as Prostaglandin D2 Receptor Modulators PTGDR, PTGDR2, PTGER1 NOTUM 2699/4885HTR2A 57/4885HTR2C 101/4885

“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.