SCHEMBL8735702

SCHEMBL8735702

COC(=O)c1ccc(C(C)CN)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.58
MAPT P10636 3/20 0.55
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA7 P43166 1/20 0.50
DPP4 P27487 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.46
STS P08842 1/20 0.45

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
SCHEMBL20504349 0.86 LOXL2 (0.54) LOXL2MAPTCA1CA2CA12
SCHEMBL16684851 0.84 L3MBTL1 (0.52) LOXL2MAPTCA1CA2CA12
SCHEMBL14966780 0.84 CA1 (0.52) LOXL2MAPTCA1CA2CA12
SCHEMBL1791209 0.84 L3MBTL1 (0.52) LOXL2MAPTCA1CA2CA12
SCHEMBL19940311 0.82 MAPT (0.50) LOXL2MAPTCA1CA2CA12
SCHEMBL28444518 0.82 DPP4 (0.58) LOXL2MAPTCA1CA2CA12
SCHEMBL5177629 0.82 MAPT (0.53) LOXL2MAPTCA1CA2CA12
SCHEMBL27542641 0.82 MAPT (0.50) LOXL2MAPTCA1CA2CA12
SCHEMBL14281202 0.82 LOXL2 (0.58) LOXL2MAPTCA1CA2CA12
Hydrochloric Acid SCHEMBL28694343 0.81 DPP4 (0.57) LOXL2MAPTCA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854681-A Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2023-10-10 CN disclosed
CN-110177783-B Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2023-06-06 CN disclosed
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2023-05-04 US disclosed
WO-2022128850-A1 NOVEL ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-06-23 WO disclosed
EP-3954684-A1 PROCESS FOR THE PREPARATION OF HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS Ardelyx, Inc. (US) 2022-02-16 EP disclosed
EP-3504205-B1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX INC (US) 2021-08-04 EP disclosed
US-20210061762-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS, INC. 2021-03-04 US disclosed
US-20210017177-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2021-01-21 US disclosed
EP-3752250-A1 P300/CBP HAT INHIBITORS Constellation Pharmaceuticals, Inc. (US) 2020-12-23 EP disclosed
US-10793568-B2 Hormone receptor modulators for treating metabolic conditions and disorders ARDELYX, INC. (US) 2020-10-06 US disclosed
US-20180022730-A1 SMALL-MOLECULE INHIBITORS TARGETING DISCOIDIN DOMAIN RECEPTOR 1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-01-25 US disclosed
US-20180022730-A1 SMALL-MOLECULE INHIBITORS TARGETING DISCOIDIN DOMAIN RECEPTOR 1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-01-25 US disclosed
EP-3209299-A1 SMALL-MOLECULE INHIBITORS TARGETING DISCOIDIN DOMAIN RECEPTOR 1 AND USES THEREOF The Board of Regents of The University of Texas System (US) 2017-08-30 EP disclosed
EP-0874826-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1998-11-04 EP disclosed
WO-1997024331-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-07-10 WO disclosed
US-5010091-A Animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
US-4654371-A ANTI-OBESITY, HYPOGLYCEMIA AGENTS BEECHAM GROUP P.L.C. (GB) 1987-03-31 US disclosed
EP-0029320-A2 Secondary ethanol amines, their preparation and their use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-05-27 EP disclosed
EP-0028105-A1 Secondary amines, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-05-06 EP disclosed
EP-0006735-A1 Secondary amines, their preparation, pharmaceutical compositions containing them and their use BEECHAM GROUP PLC (GB) 1980-01-09 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 (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-20210061762-A1 P300/CBP HAT INHIBITORS EP300, HDAC1, KAT2A LOXL2 2317/4885MAPT 887/4885CA1 4256/4885
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R LOXL2 2154/4885MAPT 4700/4885CA1 3577/4885
US-10793568-B2 Hormone receptor modulators for treating metabolic conditions and disorders NR1H4, FXR1, GLP1R LOXL2 2165/4885MAPT 4713/4885CA1 3345/4885
US-20180022730-A1 SMALL-MOLECULE INHIBITORS TARGETING DISCOIDIN DOMAIN RECEPTOR 1 AND USES THEREOF DDR1, DDR2, DDRGK1 LOXL2 336/4885MAPT 4803/4885CA1 4870/4885
US-20210017177-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R LOXL2 2154/4885MAPT 4700/4885CA1 3577/4885

“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.