SCHEMBL18087743

SCHEMBL18087743

c1ccc(CCC2NCCc3c2[nH]c2ccccc32)cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.76
HTR2A P28223 8/20 0.74
HTR2C P28335 4/20 0.74
HTR7 P34969 5/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
CHRM4 P08173 4/20 0.58
DRD2 P14416 2/20 0.58
CTSK P43235 1/20 0.55
MAPKAPK2 P49137 1/20 0.54

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
Fenharmane SCHEMBL9695673 0.86 GRIN2B (1.00) GRIN2BHTR2AHTR2CHTR7CYP3A4
SCHEMBL764540 0.85 HTR2A (1.00) GRIN2BHTR2AHTR2CMAPKAPK2
Fenharmane SCHEMBL9696484 0.85 GRIN2B (0.97) GRIN2BHTR2AHTR2CHTR7CYP3A4
SCHEMBL11216720 0.81 GRIN2B (0.64) GRIN2BHTR2AHTR2CHTR7CYP3A4
SCHEMBL10857696 0.81 GRIN2B (0.67) GRIN2BHTR2AHTR2CHTR7CYP3A4
SCHEMBL10924004 0.80 GRIN2B (0.70) GRIN2BHTR2AHTR2CHTR7CYP3A4
SCHEMBL5532807 0.80 GRIN2B (0.70) GRIN2BHTR2AHTR2CHTR7CYP3A4
SCHEMBL8322968 0.80 GRIN2B (0.70) GRIN2BHTR2AHTR2CHTR7CYP3A4
SCHEMBL21883968 0.80 GRIN2B (0.70) GRIN2BHTR2AHTR2CHTR7CYP3A4
SCHEMBL29756361 0.80 GRIN2B (0.70) GRIN2BHTR2AHTR2CHTR7CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160272572-A1 ADENYLYL CYCLASE INHIBITORS FOR NEUROPATHIC AND INFLAMMATORY PAIN PURDUE RESEARCH FOUNDATION 2016-09-22 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-20160272572-A1 ADENYLYL CYCLASE INHIBITORS FOR NEUROPATHIC AND INFLAMMATORY PAIN ADCY1, ADCY2, ADCY5 GRIN2B 536/4885HTR2A 1789/4885HTR2C 1938/4885

“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.