SCHEMBL4153733

SCHEMBL4153733

O=C(Cc1ccccc1)NCCc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.79
GAA P10253 1/20 0.79
TRPV1 Q8NER1 2/20 0.74
CA2 P00918 3/20 0.71
CA1 P00915 2/20 0.71
CA5A P35218 1/20 0.71
CA7 P43166 1/20 0.71
CA5B Q9Y2D0 1/20 0.71
ALDH1A1 P00352 2/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
ATM Q13315 1/20 0.66
HSD17B2 P37059 1/20 0.65
CNR1 P21554 1/20 0.64
EPHX2 P34913 3/20 0.63
LTA4H P09960 2/20 0.63
TAAR1 Q96RJ0 1/20 0.62
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62

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
SCHEMBL4152553 0.91 TRPV1 (0.78) HPGDGAATRPV1CA2CA1
SCHEMBL4152627 0.91 TRPV1 (0.78) HPGDGAATRPV1CA2CA1
SCHEMBL6962982 0.90 CA1 (0.69) HPGDGAATRPV1CA2CA1
SCHEMBL8803541 0.90 LTA4H (0.79) HPGDGAATRPV1CA2CA1
SCHEMBL13332523 0.90 EPHX2 (0.79) HPGDGAATRPV1CA2CA1
SCHEMBL22664772 0.90 CA1 (0.69) HPGDGAATRPV1CA2CA1
SCHEMBL8156270 0.90 HPGD (0.66) HPGDGAATRPV1CA2CA1
SCHEMBL13209218 0.89 GAA (1.00) HPGDGAATRPV1ALDH1A1ATM
SCHEMBL11706331 0.87 TRPV1 (0.72) HPGDGAATRPV1CA2CA1
SCHEMBL18891534 0.86 HPGD (0.60) HPGDGAATRPV1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111187176-B Method for preparing N-vinyl amide compound under catalysis of copper salt 浙江工业大学 2022-11-25 CN claimed
CN-111187176-A Method for preparing N-vinyl amide compound under catalysis of copper salt 浙江工业大学 2020-05-22 CN claimed
CN-104419921-A Water soluble silver protective agent, preparation method thereof, chemical silvering method and surface silver plated workpiece BYD CO LTD 2015-03-18 CN claimed
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2009-04-30 US claimed
EP-1876169-A1 PHENYL-CONTAINING N-ACYL AMINE AND AMINOACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, A PHARMACEUTICAL COMPOSITION AND THE USE THEREOF Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2008-01-09 EP claimed
EP-0754041-A4 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMA (US) 1997-11-19 EP claimed
CN-1149252-A Novel substituted tryptamines, phenylalkylamines and the like INTERNEURON PHARMA (US) 1997-05-07 CN claimed
EP-0754041-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS INCORPORATED (US) 1997-01-22 EP claimed
WO-1995026723-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS, INC. (US) 1995-10-12 WO claimed
CN-111187176-B Method for preparing N-vinyl amide compound under catalysis of copper salt 浙江工业大学 2022-11-25 CN disclosed
CN-111187176-A Method for preparing N-vinyl amide compound under catalysis of copper salt 浙江工业大学 2020-05-22 CN disclosed
US-10377698-B2 Diphenethylamine derivatives which are inter alia useful as analgesics and method for their production UNIVERSITY OF INNSBRUCK (AT) 2019-08-13 US disclosed
US-10377698-B2 Diphenethylamine derivatives which are inter alia useful as analgesics and method for their production UNIVERSITY OF INNSBRUCK (AT) 2019-08-13 US disclosed
US-20180072654-A1 Diphenethylamine Derivatives Which Are Inter Alia Useful As Analgesics And Method For Their Production Spetea, Mariana, Dr. (AT) 2018-03-15 US disclosed
EP-0754041-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS INCORPORATED (US) 1997-01-22 EP disclosed
US-5580878-A TREATING SLEEP DISORDERS INTERNEURON PHARMACEUTICALS, INC. (US) 1996-12-03 US disclosed
EP-0737204-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1996-10-16 EP disclosed
WO-1995026723-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS, INC. (US) 1995-10-12 WO disclosed
WO-1995015973-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1995-06-15 WO disclosed
US-5403851-A Central nervous system and psychological disorders INTERNEURON PHARMACEUTICALS, INC. (US) 1995-04-04 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 (3 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-20180072654-A1 Diphenethylamine Derivatives Which Are Inter Alia Useful As Analgesics And Method For Their Production PNMT, OPRL1, OPRK1 HPGD 394/4885GAA 312/4885TRPV1 16/4885
US-10377698-B2 Diphenethylamine derivatives which are inter alia useful as analgesics and method for their production PNMT, OPRL1, OPRK1 HPGD 475/4885GAA 385/4885TRPV1 22/4885
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof PAH, MAOA, APEH HPGD 230/4885GAA 63/4885TRPV1 2120/4885

“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.