SCHEMBL1506414

SCHEMBL1506414

CCCCCC1C=CNCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30
GNAI3 P08754 2/20 0.30
GNAO1 P09471 2/20 0.30
GNAI1 P63096 2/20 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
SCHEMBL14646693 0.86
SCHEMBL1244011 0.80 ALDH1A1 (0.34) EPHX1ALDH1A1
SCHEMBL22814668 0.77
SCHEMBL20477531 0.74 EPHX1 (0.41) EPHX1ALDH1A1USP2ALOX15TDP1
SCHEMBL7278841 0.74
SCHEMBL11286201 0.74
SCHEMBL5408963 0.69 ALDH1A1 (0.54) EPHX1ALDH1A1USP2ALOX15TDP1
SCHEMBL9213351 0.68 ALDH1A1 (0.57) EPHX1ALDH1A1USP2ALOX15TDP1
SCHEMBL9209673 0.68 ALDH1A1 (0.57) EPHX1ALDH1A1USP2ALOX15TDP1
SCHEMBL11788866 0.68 ALDH1A1 (0.57) EPHX1ALDH1A1USP2ALOX15TDP1

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108084083-A Synthesis method of N-substituent-1, 2,3, 6-tetrahydropyridine 中山市得高行知识产权中心(有限合伙) 2018-05-29 CN disclosed
EP-2049472-B1 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS ABBVIE BAHAMAS LTD (BS) 2015-01-21 EP disclosed
US-8829041-B2 Cyclopropyl amine derivatives ABBVIE INC. (US) 2014-09-09 US disclosed
US-8592467-B2 Benzothiazole cyclobutyl amine derivatives ABBVIE INC. (US) 2013-11-26 US disclosed
EP-2386556-B1 Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands ABBVIE INC (US) 2013-10-23 EP disclosed
US-8399468-B2 Octahydro-pyrrolo[3,4-B]pyrrole derivatives ABBOTT LABORATORIES (US) 2013-03-19 US disclosed
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 US disclosed
US-8338452-B2 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-25 US disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 EP disclosed
EP-1926729-B1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LAB (US) 2011-12-21 EP disclosed
US-20030225060-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2003-12-04 US disclosed
CN-1120167-C Tetrahydropyridine-(or 4-hydroxypiperidine) Alkylazoles having an affinity for sigma and/or 5HTIA receptors ESTEVE S A LAB DE DR (ES) 2003-09-03 CN disclosed
EP-0721455-B1 TETRAHYDROPYRIDINE-(OR 4-HYDROXYPIPERIDINE)ALKYLAZOLES HAVING AN AFFINITY FOR SIGMA AND/OR 5HT1A RECEPTORS ESTEVE LABOR DR (ES) 2002-12-11 EP disclosed
WO-2002068388-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2002-09-06 WO disclosed
CN-1166173-A Tetrahydropyridine- (or 4-hydroxypiperidine) alkylpyrroles active at sigma and/or 5HTIA receptors ESTEVE S A LAB DE DR (ES) 1997-11-26 CN disclosed
EP-0721455-A1 TETRAHYDROPYRIDINE-(OR 4-HYDROXYPIPERIDINE)ALKYLAZOLES HAVING AN AFFINITY FOR SIGMA AND/OR 5HT1A RECEPTORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1996-07-17 EP disclosed
WO-1996004287-A1 TETRAHYDROPYRIDINE-(OR 4-HYDROXYPIPERIDINE)ALKYLAZOLES HAVING AN AFFINITY FOR SIGMA AND/OR 5HT1A RECEPTORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1996-02-15 WO disclosed
CN-1034922-A The tetrahydropyridine derivatives preparation method RICHTER GEDEON VEGYESZET (HU) 1989-08-23 CN disclosed
US-4277608-A Method of preparing 4a-arylhexahydro-1H-2-pyrindines and 4a-aryloctahydroisoquinolines ELI LILLY AND COMPANY (US) 1981-07-07 US disclosed
US-4236009-A Method of preparing 4A-arylhexahydro-1H-2-pyrindines and 4A-aryloctahydroisoquinolines ELI LILLY AND COMPANY (US) 1980-11-25 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-20030225060-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R EPHX1 3724/4885ALDH1A1 2626/4885USP2 2696/4885

“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.