SCHEMBL631642

SCHEMBL631642

CC1(C)OC(=O)Nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 18/20 0.55
PDK2 Q15119 1/20 0.52
PDK4 Q16654 1/20 0.52
AR P10275 4/20 0.48
NR3C1 P04150 3/20 0.48
NR3C2 P08235 3/20 0.48
ALDH1A1 P00352 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
SCHEMBL3381414 0.77 PDK2 (0.44) PGRPDK2PDK4ARNR3C1
SCHEMBL3377467 0.76 PGR (0.60) PGRARNR3C1NR3C2
SCHEMBL3295805 0.76 PGR (0.60) PGRARNR3C1NR3C2
SCHEMBL13109887 0.76 PDK2 (0.43) PGRPDK2PDK4ARNR3C1
SCHEMBL4840478 0.76 POLB (0.44) PGRPDK2PDK4ALDH1A1
SCHEMBL15210358 0.74 PGR (0.48) PGRARNR3C1NR3C2
SCHEMBL10918048 0.74 PGR (0.48) PGRARNR3C1NR3C2
SCHEMBL3380231 0.74 PGR (0.59) PGRARNR3C1NR3C2
SCHEMBL3377796 0.74 PGR (0.48) PGRARNR3C1NR3C2
SCHEMBL12649317 0.74 PGR (0.59) PGRARNR3C1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867556-B LPA receptor antagonists and uses thereof 吉利德科学公司 2025-05-06 CN disclosed
EP-3398940-B1 HIGH STRESS RESISTANT PLANT GROWTH REGULATOR AND PREPARATION METHOD AND USE THEREOF CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2022-06-22 EP disclosed
US-11076597-B2 High stress resistant plant growth regulator and preparation method and use thereof CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2021-08-03 US disclosed
US-20190000084-A1 HIGH STRESS RESISTANT PLANT GROWTH REGULATOR AND PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTES FOR BIOLOGICAL SCIENCES, CHINESE ACADEMY OF SCIENCES (CN) 2019-01-03 US disclosed
WO-2018017490-A1 CARBAMATE QUINABACTIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-25 WO disclosed
US-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-07-28 US disclosed
EP-2419418-B1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-04-15 EP disclosed
EP-1901776-B1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE BOEHRINGER INGELHEIM INT (DE) 2012-02-22 EP disclosed
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2011-05-12 US disclosed
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2011-05-12 US disclosed
US-20070066609-A1 Long acting beta-2-agonists and their use as medicaments BOUYSSOU THIERRY 2007-03-22 US disclosed
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 US disclosed
WO-2007003554-A1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE. BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO disclosed
US-7160882-B2 Long acting β-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-09 US disclosed
EP-1711480-A1 NOVEL LONG-WORKING BETA-2-AGONISTS AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-10-18 EP disclosed
US-20050227975-A1 New long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 US disclosed
WO-2005070908-A1 NOVEL LONG-WORKING BETA-2-AGONISTS AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 WO disclosed
US-20050085470-A1 6-Amino-1,4-dihydro-benzo[d][1,3] oxazin-2-ones and analogs useful as progesterone receptor modulators WYETH 2005-04-21 US disclosed
US-4831027-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1989-05-16 US disclosed
EP-0263352-A1 Imidazo-benzoxazinones, their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1988-04-13 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 (8 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-20070066609-A1 Long acting beta-2-agonists and their use as medicaments ADRB2, ADRB1, CHRM1 PGR 1495/4885PDK2 3369/4885PDK4 3783/4885
US-20190000084-A1 HIGH STRESS RESISTANT PLANT GROWTH REGULATOR AND PREPARATION METHOD AND USE THEREOF BOLA2; BOLA2B, MYB, PPA1 PGR 1764/4885PDK2 1790/4885PDK4 2011/4885
US-20050227975-A1 New long acting beta-2-agonists and their use as medicaments ADRB2, ADRA2A, ADRB1 PGR 963/4885PDK2 3940/4885PDK4 4530/4885
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient ADRB2, ADRA2A, ADRB1 PGR 1994/4885PDK2 3612/4885PDK4 4523/4885
US-11076597-B2 High stress resistant plant growth regulator and preparation method and use thereof BOLA2; BOLA2B, MYB, PPA1 PGR 1764/4885PDK2 1790/4885PDK4 2011/4885
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR PGR 3/4885PDK2 1528/4885PDK4 1159/4885
US-20050085470-A1 6-Amino-1,4-dihydro-benzo[d][1,3] oxazin-2-ones and analogs useful as progesterone receptor modulators PGR, FSHR, GPR6 PGR 1/4885PDK2 2163/4885PDK4 1893/4885
US-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 PGR 1225/4885PDK2 1398/4885PDK4 1661/4885

“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.