SCHEMBL966680

SCHEMBL966680

CCNC(=O)N(C)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.51
OPRL1 P41146 1/20 0.51
PKM P14618 1/20 0.50
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
FASN P49327 1/20 0.43

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
SCHEMBL11186149 0.86 PKM (0.45) OPRM1OPRL1PKMALDH1A1KMT2A
SCHEMBL11186339 0.86 OPRM1 (0.47) OPRM1OPRL1PKMALDH1A1KMT2A
SCHEMBL20266341 0.85 PKM (0.47) PKMALDH1A1KMT2AMEN1GLA
SCHEMBL2104344 0.83 PKM (0.49) PKMALDH1A1KMT2AMEN1LMNA
SCHEMBL22559963 0.83 PKM (0.49) PKMALDH1A1KMT2AMEN1LMNA
SCHEMBL1400657 0.82 NPSR1 (0.50) OPRM1OPRL1ALDH1A1KMT2AMEN1
SCHEMBL24487125 0.82 PKM (0.45) PKMALDH1A1KMT2AMEN1GLA
SCHEMBL23718636 0.81 PPIB (0.43) OPRM1OPRL1ALDH1A1TSHRLMNA
SCHEMBL2754184 0.81 ALDH1A1 (0.45) OPRM1OPRL1PKMALDH1A1KMT2A
SCHEMBL13543362 0.81 RAB9A (0.50) OPRM1OPRL1PKMALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
EP-2128139-B1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2013-08-07 EP disclosed
US-8344156-B2 Method for producing fluorine-containing acylacetic acid derivative, method for producing fluorine-containing pyrazolecarboxylic acid ester derivative, and method for producing fluorine-containing pyrazolecarboxylic acid derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-01-01 US disclosed
US-7884216-B2 Fluorine-containing pyrazolecarbonitrile derivative and method for producing the same, and fluorine-containing pyrazolecarboxylic acid derivative obtained by using the fluorine-containing pyrazolecarbonitrile derivative and method for producing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-02-08 US disclosed
US-20110015406-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2011-01-20 US disclosed
EP-2263999-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE Mitsui Chemicals Agro, Inc. (JP) 2010-12-22 EP disclosed
US-20100016612-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO, INC (JP) 2010-01-21 US disclosed
EP-2128139-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-02 EP disclosed
US-4000196-A HYPOTENSIVE AGENTS, CHELATION, ANTIDEPRESSANTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-12-28 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-20100016612-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME AFF1, AFF2, PFAS OPRM1 4278/4885OPRL1 3946/4885PKM 1370/4885
US-20110015406-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE AADAC, AFF1, AFF2 OPRM1 4559/4885OPRL1 4034/4885PKM 3118/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV OPRM1 4685/4885OPRL1 4301/4885PKM 2707/4885

“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.