SCHEMBL3109722

SCHEMBL3109722

O=C(O)NCc1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.61
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAB9A P51151 2/20 0.57
POLB P06746 2/20 0.57
MAPK1 P28482 1/20 0.56
TP53 P04637 1/20 0.55
EPHX2 P34913 1/20 0.55
FFAR1 O14842 1/20 0.54
ALDH1A1 P00352 1/20 0.52
KDM5A P29375 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM5B Q9UGL1 1/20 0.51
ANPEP P15144 1/20 0.51
CASP3 P42574 1/20 0.51
METAP2 P50579 1/20 0.50

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
SCHEMBL29699631 1.00 SRC (0.61) SRCCYP1A2CYP2D6CYP2C9TSHR
SCHEMBL8059189 0.86 CYP1A2 (0.68) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL18191582 0.85 MPO (0.54) SRCRAB9APOLBMAPK1EPHX2
SCHEMBL18722262 0.84 SRC (0.56) SRCRAB9APOLBMAPK1TP53
SCHEMBL31173724 0.84 SRC (0.56) SRCRAB9APOLBMAPK1TP53
SCHEMBL885310 0.84 SRC (0.56) SRCRAB9APOLBMAPK1TP53
SCHEMBL5315407 0.84 SRC (0.56) SRCRAB9APOLBMAPK1TP53
SCHEMBL1490532 0.84 SRC (0.56) SRCRAB9APOLBMAPK1TP53
SCHEMBL30006359 0.84 SRC (0.56) SRCRAB9APOLBMAPK1TP53
SCHEMBL354056 0.84 SRC (0.60) SRCRAB9APOLBMAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US claimed
CN-102858743-A Spiro-condensed cyclohexane derivatives as HSL inhibitors useful for the treatment of diabetes HOFFMANN LA ROCHE 2013-01-02 CN claimed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP claimed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO claimed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-20220282254-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD FULCRUM THERAPEUTICS INC (US) 2022-09-08 US disclosed
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2021-01-07 US disclosed
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2020-12-08 US disclosed
EP-3609871-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS Aerie Pharmaceuticals, Inc. (US) 2020-02-19 EP disclosed
US-20180327381-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2018-11-15 US disclosed
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
CN-102858743-A Spiro-condensed cyclohexane derivatives as HSL inhibitors useful for the treatment of diabetes HOFFMANN LA ROCHE 2013-01-02 CN disclosed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-09 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 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 (9 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-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK SRC 165/4885CYP1A2 3871/4885CYP2D6 4265/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK SRC 165/4885CYP1A2 3871/4885CYP2D6 4265/4885
US-20180327381-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK SRC 165/4885CYP1A2 3871/4885CYP2D6 4265/4885
US-20220282254-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD ZFX, TBL1XR1, TRIM28 SRC 3015/4885CYP1A2 4481/4885CYP2D6 4354/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK SRC 165/4885CYP1A2 3871/4885CYP2D6 4265/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK SRC 165/4885CYP1A2 3871/4885CYP2D6 4265/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK SRC 165/4885CYP1A2 3871/4885CYP2D6 4265/4885
US-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 SRC 2018/4885CYP1A2 418/4885CYP2D6 1041/4885
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds HSD17B11, CYP19A1, ESRRA SRC 4644/4885CYP1A2 222/4885CYP2D6 665/4885

“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.