SCHEMBL18085044

SCHEMBL18085044

COc1ccc2c(c1)C(c1ccccc1)CN(C(=O)CBr)CC2

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.54
▸ SLC6A4 P31645 2/20 0.54
▸ SLC6A3 Q01959 2/20 0.54
▸ MTNR1B P49286 4/20 0.50
▸ MTNR1A P48039 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TAS2R14 Q9NYV8 1/20 0.47
▸ DRD1 P21728 4/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43

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
SCHEMBL18085075 0.91 MTNR1B (0.44) SLC6A2SLC6A4SLC6A3MTNR1BMTNR1A
SCHEMBL10345414 0.87 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3MTNR1BMTNR1A
SCHEMBL18085053 0.83 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3MTNR1BMTNR1A
SCHEMBL20598497 0.83 ALDH1A1 (0.66) SLC6A2SLC6A4SLC6A3MTNR1BALDH1A1
SCHEMBL18085045 0.82 MTNR1B (0.54) SLC6A2SLC6A4SLC6A3MTNR1BMTNR1A
SCHEMBL7624331 0.78 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MTNR1BMTNR1A
SCHEMBL11393016 0.78 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3KDM4EMAPT
SCHEMBL18085059 0.78 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3KDM4EMAPT
SCHEMBL10796719 0.74 MTNR1B (0.47) SLC6A2SLC6A4SLC6A3MTNR1BMTNR1A
SCHEMBL24489998 0.74 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3MTNR1BALDH1A1

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-20160272572-A1 ADENYLYL CYCLASE INHIBITORS FOR NEUROPATHIC AND INFLAMMATORY PAIN PURDUE RESEARCH FOUNDATION 2016-09-22 — — US disclosed
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 SLC6A2 1451/4885SLC6A4 1854/4885SLC6A3 1919/4885

“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.

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