SCHEMBL2866367

SCHEMBL2866367

CNC(c1ccccc1)C(N)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.56
F2 P00734 1/20 0.44
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 2/20 0.42
ADRA2C P18825 2/20 0.42
HTR2A P28223 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA1A P35348 1/20 0.42
AOC3 Q16853 1/20 0.42
RGS12 O14924 1/20 0.42
GLA P06280 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
GNAI1 P63096 1/20 0.42

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
SCHEMBL14455234 1.00 DPP4 (0.56) DPP4F2CYP3A4CYP2C19CYP2D6
SCHEMBL9425803 0.89 CYP3A4 (0.62) DPP4CYP3A4CYP2C19CYP2D6SLC6A2
SCHEMBL23716036 0.84 AOC3 (0.50) DPP4F2CYP3A4CYP2C19CYP2D6
SCHEMBL9906120 0.83 CYP3A4 (0.56) DPP4F2CYP3A4CYP2C19CYP2D6
SCHEMBL12260224 0.83 CYP3A4 (0.56) DPP4F2CYP3A4CYP2C19CYP2D6
SCHEMBL8147964 0.83 CYP3A4 (0.56) DPP4F2CYP3A4CYP2C19CYP2D6
SCHEMBL2542748 0.83 CYP3A4 (0.56) DPP4F2CYP3A4CYP2C19CYP2D6
SCHEMBL5475480 0.83 CYP3A4 (0.56) DPP4F2CYP3A4CYP2C19CYP2D6
SCHEMBL8945895 0.82 IDO1 (0.46) DPP4F2CYP3A4CYP2C19CYP2D6
Dimethylamine SCHEMBL2138001 0.80 DPP4 (0.78) DPP4F2CYP3A4CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105802196-B A kind of high molecular material and preparation method thereof with double process shape-memory effect 中山大学 2018-08-07 CN disclosed
US-9321045-B2 Catalyst and process for synthesising the same THE UNIVERSITY OF WARWICK (GB) 2016-04-26 US disclosed
US-9181217-B2 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-11-10 US disclosed
US-20150290634-A1 Catalyst and Process for Synthesising the Same THE UNIVERSITY OF WARWICK (GB) 2015-10-15 US disclosed
US-20150152082-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-04 US disclosed
WO-2013141395-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE COMPOSITION, RESIST FILM USING THE SAME, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2013-09-26 WO disclosed
EP-2623509-A1 Method of producing an optically active amine compound by catalytic asymmetric hydrogenation using a ruthenium-diphosphine complex Kanto Kagaku Kabushiki Kaisha (JP) 2013-08-07 EP disclosed
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2013-08-01 US disclosed
US-7659409-B2 3-Hydroxy-3-(2-thienyl) propionamides and production method thereof, and production method of 3-amino-1-(2-thienyl)-1-propanols using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-09 US disclosed
US-20100029985-A1 Process AVECIA PHARMACEUTICALS LIMITED (GB) 2010-02-04 US disclosed
EP-1741693-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS Nagoya Industrial Science Research Institute (JP) 2007-01-10 EP disclosed
US-20050107621-A1 3-Hydroxy-3-(2-thienyl) propionamides and production method thereof, and production method of 3-amino-1-(2-thienyl)-1-propanols using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-05-19 US disclosed
US-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGAKU KABUSHIKI KAISHA (JP) 2005-05-12 US disclosed
EP-1512678-A1 Process for preparing optically active nitro compounds and cyano compounds Kanto Kagaku Kabushiki Kaisha (JP) 2005-03-09 EP disclosed
EP-1486493-A1 3-HYDROXY-3-(2-THIENYL)PROPIONAMIDE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING 3-AMINO-1-(2-THIENYL)-1-PROPANOL COMPOUND THEREFROM Mitsubishi Chemical Corporation (JP) 2004-12-15 EP disclosed
US-20040176616-A1 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA 2004-09-09 US disclosed
EP-1439159-A1 Process for producing optically active compound Kanto Kagaku Kabushiki Kaisha (JP) 2004-07-21 EP disclosed
US-6686505-B2 HYDROGENATION OF NITRO KETONE OR CYANO KETONE IN PRESENCE OF TRANSITION METAL COMPOUND CATALYST; AMINATION KANTO KAGUKU KABUSHIKI KAISHA (JP) 2004-02-03 US disclosed
US-20030171592-A1 Process for producing optically active amino alcohols and intermediates therefore KANTO KAGAKU KABUSHIKI KAISHA (JP) 2003-09-11 US disclosed
EP-1308435-A2 Process for producing optically active amino alcohols Kanto Kagaku Kabushiki Kaisha (JP) 2003-05-07 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 (8 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-20050107621-A1 3-Hydroxy-3-(2-thienyl) propionamides and production method thereof, and production method of 3-amino-1-(2-thienyl)-1-propanols using the same APEH, AADAC, KMO DPP4 83/4885F2 1038/4885CYP3A4 107/4885
US-20030171592-A1 Process for producing optically active amino alcohols and intermediates therefore ADH1A, NOS1, ADH5 DPP4 4573/4885F2 2325/4885CYP3A4 195/4885
US-20100029985-A1 Process ADH1A, ADH1C, AKR1C3 DPP4 4788/4885F2 269/4885CYP3A4 25/4885
US-20150152082-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND HRH1, HRH4, RB1 DPP4 4229/4885F2 3488/4885CYP3A4 1794/4885
US-20150290634-A1 Catalyst and Process for Synthesising the Same CBR3, SPR, RNF5 DPP4 3913/4885F2 2655/4885CYP3A4 518/4885
US-20040176616-A1 Process for producing optically active compound OSTC, NPEPPS, PPOX DPP4 1485/4885F2 3265/4885CYP3A4 77/4885
US-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds NOS1, NOS2, NOX1 DPP4 4252/4885F2 1289/4885CYP3A4 194/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM DPP4 3863/4885F2 2592/4885CYP3A4 2504/4885

“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.