SCHEMBL939908

SCHEMBL939908

CC(C)C1CCC(CC(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.47
ENPEP Q07075 1/20 0.47
SLC6A1 P30531 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRB2 P47870 2/20 0.41
SLC6A12 P48065 2/20 0.41
SLC6A11 P48066 2/20 0.41
SLC6A13 Q9NSD5 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRA4 P48169 1/20 0.41
SLC1A2 P43004 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL10232799 1.00 ANPEP (0.47) ANPEPENPEPSLC6A1GABRA5GABRB2
SCHEMBL939910 1.00 ANPEP (0.47) ANPEPENPEPSLC6A1GABRA5GABRB2
SCHEMBL13910150 0.88 ANPEP (0.41) ANPEPENPEPSLC6A1GABRA5GABRB2
SCHEMBL27726415 0.84 ROCK2 (0.34) ANPEPENPEPTDP1LMNAROCK2
SCHEMBL7882668 0.83 ANPEP (0.44) ANPEPENPEPSLC6A1GABRA5GABRB2
SCHEMBL15080323 0.83 ROCK2 (0.33) ANPEPENPEPTDP1ALDH1A1LMNA
SCHEMBL17430747 0.81 ANPEP (0.34) ANPEPENPEPSLC6A1GABRA5GABRB2
SCHEMBL24483919 0.81 ROCK2 (0.33) ANPEPENPEPTDP1LMNAROCK2
SCHEMBL10232826 0.81 ALOX5 (0.39) ANPEPENPEPSLC1A2TDP1LMNA
SCHEMBL7874370 0.81 ALOX5 (0.39) ANPEPENPEPSLC1A2TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161856-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-11-02 US disclosed
WO-2020251957-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
US-10406140-B2 5-substituted benzimidazole and 5-substituted azabenzimidazole derivative both having AMPK activation effect SHIONOGI & CO., LTD. (JP) 2019-09-10 US disclosed
US-20190183866-A1 5-SUBSTITUTED BENZIMIDAZOLE AND 5-SUBSTITUTED AZABENZIMIDAZOLE DERIVATIVE BOTH HAVING AMPK ACTIVATION EFFECT SHIONOGI & CO., LTD. (JP) 2019-06-20 US disclosed
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-12-15 US disclosed
CN-105367911-A Auto part rubber coating TPV and preparation method thereof ANHUI XIONGYA PLASTIC TECH CO LTD 2016-03-02 CN disclosed
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-01-21 US disclosed
US-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2015-06-18 US disclosed
US-8933109-B2 Furo[3, 2-B] pyrrol-3-ones as cathespin S inhibitors AMURA LIMITED (GB) 2015-01-13 US disclosed
US-20140038944-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2014-02-06 US disclosed
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2011-01-13 US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed
EP-1920042-B1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL AG & CO KGAA (DE) 2010-06-23 EP disclosed
WO-2009112826-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 WO disclosed
US-20090186830-A1 MACROCYCLES AND THEIR USES NOVARTIS AG (CH) 2009-07-23 US disclosed
US-4329296-A Branched chain and cycloaliphatic esters of the androstane and oestrane series and pharmaceutical compositions containing same AKZONA INCORPORATED (US) 1982-05-11 US disclosed
US-4312864-A ANDROGENIC, ANABOLIC, ESTROGENIC, ANTIESTROGENIC AKZONA INCORPORATED (US) 1982-01-26 US disclosed
US-4307086-A ANTIESTROGENS AKZONA INCORPORATED (US) 1981-12-22 US disclosed
US-4307087-A ANTIESTROGENS AKZONA INCORPORATED (US) 1981-12-22 US disclosed
US-4212864-A ANDROGENIC, ANABOLIC, ESTROGENIC AND ANTI-ESTROGENIC PROPERTIES AKZONA INCORPORATED (US) 1980-07-15 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 (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-11161856-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, VKORC1L1 ANPEP 4008/4885ENPEP 4302/4885SLC6A1 3063/4885
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK ANPEP 390/4885ENPEP 824/4885SLC6A1 2735/4885
US-20090186830-A1 MACROCYCLES AND THEIR USES CYP11B2, OAT, CYP27A1 ANPEP 1741/4885ENPEP 851/4885SLC6A1 1481/4885
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK ANPEP 470/4885ENPEP 1039/4885SLC6A1 2372/4885
US-20190183866-A1 5-SUBSTITUTED BENZIMIDAZOLE AND 5-SUBSTITUTED AZABENZIMIDAZOLE DERIVATIVE BOTH HAVING AMPK ACTIVATION EFFECT PRKAG2, PRKAB2, PRKAG1 ANPEP 3129/4885ENPEP 3168/4885SLC6A1 2837/4885
US-10406140-B2 5-substituted benzimidazole and 5-substituted azabenzimidazole derivative both having AMPK activation effect PRKAG2, PRKAB2, PRKAG1 ANPEP 3129/4885ENPEP 3168/4885SLC6A1 2837/4885
US-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK ANPEP 470/4885ENPEP 1039/4885SLC6A1 2372/4885
US-20140038944-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK ANPEP 470/4885ENPEP 1039/4885SLC6A1 2372/4885
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK ANPEP 390/4885ENPEP 824/4885SLC6A1 2735/4885

“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.