SCHEMBL2731387

SCHEMBL2731387

CCCCCC=NC1CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
FAAH O00519 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
THRB P10828 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
EPHX1 P07099 1/20 0.31
DNM1 Q05193 3/20 0.31

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
SCHEMBL2731386 1.00 TSHR (0.37) TSHRFAAHTRPV1THRBALDH1A1
SCHEMBL19233520 0.89 CYP1A2 (0.40) TSHRALDH1A1HPGD
SCHEMBL17336099 0.87 CYP1A2 (0.39) TSHREPHX1
SCHEMBL17336102 0.87 CYP1A2 (0.39) TSHREPHX1
SCHEMBL17336100 0.87 CYP1A2 (0.39) TSHREPHX1
SCHEMBL17921777 0.87 CYP1A2 (0.39) TSHREPHX1
SCHEMBL17336058 0.87 CYP1A2 (0.39) TSHREPHX1
SCHEMBL17336101 0.87 CYP1A2 (0.39) TSHREPHX1
SCHEMBL17336059 0.87 CYP1A2 (0.39) TSHREPHX1
SCHEMBL11762566 0.82 CYP1A2 (0.41) TSHRALDH1A1HPGDKMT2AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635551-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION BAYER CROPSCIENCE AG (DE) 2018-05-02 EP claimed
US-9260378-B2 Process for the preparation of substituted N-(benzyl)cyclopropanamines by imine hydrogenation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-16 US claimed
EP-2635551-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION Bayer Cropscience AG (DE) 2013-09-11 EP claimed
US-20130217910-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2013-08-22 US claimed
WO-2012059585-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION BAYER CROPSCIENCE AG (DE) 2012-05-10 WO claimed
EP-2635551-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION BAYER CROPSCIENCE AG (DE) 2018-05-02 EP disclosed
CN-103402970-B Process for the preparation of substituted n-(benzyl)cyclopropanamines by imine hydrogenation 拜耳知识产权有限责任公司 2017-02-15 CN disclosed
US-9260378-B2 Process for the preparation of substituted N-(benzyl)cyclopropanamines by imine hydrogenation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-16 US disclosed
US-9260378-B2 Process for the preparation of substituted N-(benzyl)cyclopropanamines by imine hydrogenation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-16 US disclosed
CN-103402970-A Process for the preparation of substituted n-(benzyl)cyclopropanamines by imine hydrogenation BAYER IP GMBH 2013-11-20 CN disclosed
EP-2635551-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION Bayer Cropscience AG (DE) 2013-09-11 EP disclosed
EP-2635551-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION Bayer Cropscience AG (DE) 2013-09-11 EP disclosed
US-20130217910-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2013-08-22 US disclosed
US-20130217910-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2013-08-22 US disclosed
WO-2012059585-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION BAYER CROPSCIENCE AG (DE) 2012-05-10 WO disclosed
WO-2012059585-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION BAYER CROPSCIENCE AG (DE) 2012-05-10 WO 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-20130217910-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION DHPS, PNMT, INMT TSHR 4169/4885FAAH 914/4885TRPV1 3758/4885

“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.