SCHEMBL3265492

SCHEMBL3265492

CCCCNCc1cccc(OC)c1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.79
▸ SCN8A Q9UQD0 1/20 0.66
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ BCHE P06276 1/20 0.58
▸ EPHX2 P34913 2/20 0.57
▸ HTR2A P28223 2/20 0.56
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ HTR2C P28335 1/20 0.54
▸ THRB P10828 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
Hydrochloric Acid SCHEMBL27669854 0.98 CHRM2 (0.77) CHRM2SCN8AMEN1KMT2AKDM4E
SCHEMBL19954201 0.95 CHRM2 (0.82) CHRM2SCN8AMEN1KMT2AKDM4E
SCHEMBL28332015 0.94 CHRM2 (0.85) CHRM2SCN8AMEN1KMT2AKDM4E
SCHEMBL10384415 0.90 CHRM2 (0.73) CHRM2SCN8AMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL6127176 0.89 CHRM2 (0.94) CHRM2SCN8AMEN1KMT2AKDM4E
SCHEMBL4916089 0.88 CHRM2 (0.81) CHRM2SCN8AMEN1KMT2AKDM4E
SCHEMBL5038344 0.86 CHRM2 (0.84) CHRM2SCN8AMEN1KMT2AKDM4E
SCHEMBL4917384 0.86 CHRM2 (0.84) CHRM2SCN8AMEN1KMT2AKDM4E
SCHEMBL4916807 0.86 CHRM2 (0.84) CHRM2SCN8AMEN1KMT2AKDM4E
SCHEMBL18767114 0.86 CHRM2 (0.77) CHRM2SCN8AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 — — US disclosed
US-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE ORYZON GENOMICS, S.A. (ES) 2012-01-05 — — US disclosed
EP-0709376-B1 Phenylpiperidino derivatives as neurokinin antagonists ASTRAZENECA AB (SE) 2003-07-23 — — EP disclosed
EP-0709376-A2 Therapeutic compounds ZENECA LIMITED (GB) 1996-05-01 — — EP disclosed
US-4958029-A Process for the production of isoindoline derivatives, novel intermediates and process for their production BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 — — US disclosed
EP-0275064-A2 Process for the production of isoindoline derivatives, novel intermediates and process for their production Banyu Pharmaceutical Co., Ltd. (JP) 1988-07-20 — — EP 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 (2 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS CHRM2 4242/4885SCN8A 4528/4885MEN1 4416/4885
US-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE PNMT, ABCB1, SNCA CHRM2 201/4885SCN8A 3578/4885MEN1 960/4885

“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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