SCHEMBL970988

SCHEMBL970988

CCNC(=O)N(C)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
EPHX1 P07099 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
CCR5 P51681 1/20 0.36
KMT2A Q03164 2/20 0.35
RAB9A P51151 2/20 0.35
KAT6A Q92794 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
ABCC1 P33527 1/20 0.34
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
NPY5R Q15761 2/20 0.32

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
SCHEMBL966336 0.94 ATM (0.45) ATMALDH1A1GAAEPHX1OPRM1
SCHEMBL969724 0.92 ATM (0.47) ATMALDH1A1EPHX1CCR5KMT2A
SCHEMBL965553 0.90 ATM (0.50) ATMALDH1A1EPHX1KMT2ARAB9A
SCHEMBL24448730 0.86 THRA (0.39) ATMALDH1A1GAAEPHX1OPRM1
SCHEMBL24449463 0.86 THRA (0.39) ATMALDH1A1GAAEPHX1OPRM1
SCHEMBL25961990 0.85 KAT6A (0.34) ATMOPRM1OPRL1CCR5KAT6A
SCHEMBL24449617 0.85 KAT6A (0.34) ATMOPRM1OPRL1CCR5KAT6A
SCHEMBL22006649 0.80 ALDH1A1 (0.38) ALDH1A1GAAEPHX1OPRM1OPRL1
SCHEMBL965813 0.77 CCR5 (0.39) ALDH1A1GAAEPHX1OPRM1OPRL1
SCHEMBL25579699 0.77 CCR5 (0.53) CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013134298-A1 RAF INHIBITOR COMPOUNDS DECIPHERA PHARMACEUTICALS, LLC (US) 2013-09-12 WO claimed
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-01-05 US disclosed
WO-2021055376-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2021-03-25 WO disclosed
WO-2013134298-A1 RAF INHIBITOR COMPOUNDS DECIPHERA PHARMACEUTICALS, LLC (US) 2013-09-12 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 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
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 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
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
US-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 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 (5 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 ATM 349/4885ALDH1A1 2972/4885GAA 1651/4885
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 ATM 1312/4885ALDH1A1 46/4885GAA 4540/4885
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 ATM 1040/4885ALDH1A1 482/4885GAA 3017/4885
US-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 ATM 991/4885ALDH1A1 163/4885GAA 1418/4885
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF GPER1, GABRQ, GPR39 ATM 3826/4885ALDH1A1 3177/4885GAA 4452/4885

“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.