SCHEMBL5215124

SCHEMBL5215124

CNCCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.66
CHRM2 P08172 1/20 0.66
CHRM1 P11229 1/20 0.66
CHRM3 P20309 1/20 0.66
CYP4F2 P78329 1/20 0.64
CYP4A11 Q02928 1/20 0.64
NOS1 P29475 1/20 0.61
NOS2 P35228 1/20 0.61
CYP2D6 P10635 1/20 0.60
MAOB P27338 3/20 0.58
ATM Q13315 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
ACHE P22303 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
SCHEMBL11464993 0.91 BCHE (0.68) BCHECHRM2CHRM1CHRM3CYP4F2
SCHEMBL25825085 0.84 HTR1B (0.66) BCHECYP4F2CYP4A11MAOB
SCHEMBL17210775 0.84 CYP4F2 (0.69) BCHECYP4F2CYP4A11CYP2D6MAOB
SCHEMBL2157904 0.83 BCHE (0.69) BCHEATMTAAR1
SCHEMBL2911574 0.83 CHRM2 (0.70) CHRM2CHRM1CHRM3NOS1NOS2
SCHEMBL13814621 0.83 BCHE (0.73) BCHECYP4F2CYP4A11NOS1MAOB
SCHEMBL29683508 0.83 BCHE (0.64) BCHECYP4F2CYP4A11CYP2D6MAOB
SCHEMBL14032176 0.83 BCHE (0.64) BCHECYP4F2CYP4A11CYP2D6MAOB
Hydrochloric Acid SCHEMBL29873726 0.82 BCHE (0.71) BCHECYP4F2CYP4A11NOS1MAOB
Hydrochloric Acid SCHEMBL9454945 0.82 BCHE (0.71) BCHECYP4F2CYP4A11NOS1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963280-B1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARM SPA (IT) 2015-10-28 EP disclosed
WO-2011006000-A1 BERBERINE DERIVATIVES USEFUL FOR MODULATING LIPID LEVELS AND THEIR METHODS OF SYNTHESIS LIU HAIYAN (US) 2011-01-13 WO disclosed
US-7205302-B2 Anticoagulants; antilipemic agents; cardiovascular disorders NIPPON SHINYAKU CO., LTD. (JP) 2007-04-17 US disclosed
CN-1301973-C Heterocyclic derivatives and medicines NIPPON SHINYAKU CO LTD (JP) 2007-02-28 CN disclosed
EP-1400518-B1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES NIPPON SHINYAKU CO LTD (JP) 2007-01-17 EP disclosed
CN-1516690-A Heterocyclic derivatives and medicines �ձ���ҩ��ʽ���� 2004-07-28 CN disclosed
US-20040102436-A1 Heterocyclic compound derivatives and medicines NIPPON SHINYAKU CO., LTD. (JP) 2004-05-27 US disclosed
EP-1400518-A1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES Nippon Shinyaku Co., Ltd. (JP) 2004-03-24 EP disclosed
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0318860-B1 SUBSTITUTED ALKYLAMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 EP disclosed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 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 (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-20040102436-A1 Heterocyclic compound derivatives and medicines CNR2, CNR1, GPR55 BCHE 2630/4885CHRM2 372/4885CHRM1 221/4885

“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.