SCHEMBL1816491

SCHEMBL1816491

O=C1CCNC2CCCCC12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
PARP1 P09874 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA1A P35348 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
KMT2A Q03164 1/20 0.31
ACHE P22303 1/20 0.31
HSD11B1 P28845 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL10744875 1.00 LMNA (0.34) LMNATSHRPARP1DRD2ADRA1A
SCHEMBL20281783 0.98 KMT2A (0.34) LMNATSHRPARP1DRD2ADRA1A
SCHEMBL20281987 0.98 KMT2A (0.34) LMNATSHRPARP1DRD2ADRA1A
SCHEMBL10116766 0.96 DRD2 (0.33) LMNATSHRPARP1DRD2ADRA1A
Hydrochloric Acid SCHEMBL407954 0.94 DRD2 (0.33) LMNATSHRDRD2ADRA1AACHE
SCHEMBL11245835 0.86 KMT2A (0.41) DRD2ADRA1ACA1CA2CA4
SCHEMBL11020218 0.85 DRD2 (0.39) DRD2ADRA1ACA1CA2CA4
SCHEMBL11020237 0.85 DRD2 (0.39) DRD2ADRA1ACA1CA2CA4
Trifluoroacetic Acid SCHEMBL16766253 0.85 KDM1A (0.36)
SCHEMBL20281861 0.84 ACHE (0.32) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118359631-A Polycyclic PI3K alpha inhibitors 轩竹生物科技股份有限公司 2024-07-19 CN disclosed
US-20210371388-A1 Bicyclic Carboxamide with Exocyclic Urea Derivatives as Antivirals for the Treatment of HBV Infection THE BARUCH S. BLUMBERG INSTITUTE 2021-12-02 US disclosed
US-20210371388-A1 Bicyclic Carboxamide with Exocyclic Urea Derivatives as Antivirals for the Treatment of HBV Infection THE BARUCH S. BLUMBERG INSTITUTE 2021-12-02 US disclosed
CN-109575008-B FXR receptor agonists 轩竹生物科技有限公司 2020-11-17 CN disclosed
US-20200352917-A1 MEDICATED SPRAY FOR TREATMENT OF SUBSTANCE ABUSE, OVERDOSE, ADDICTION AND IMPULSE CONTROL DISORDERS GOOBERMAN LANCE L (US) 2020-11-12 US disclosed
CN-104125956-B Cyclic amides as inhibitors of 11- β -hydroxysteroid dehydrogenase and uses thereof 康内克斯生命科学私人有限公司 2019-08-16 CN disclosed
CN-109575008-A FXR receptor stimulating agent 海南轩竹医药科技有限公司 2019-04-05 CN disclosed
EP-2918587-B1 Filamin A binding compounds and their use as anti-inflammatory and analgesic agents PAIN THERAPEUTICS INC (US) 2018-04-04 EP disclosed
EP-2918587-B1 Filamin A binding compounds and their use as anti-inflammatory and analgesic agents PAIN THERAPEUTICS INC (US) 2018-04-04 EP disclosed
EP-2800748-B1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2017-03-29 EP disclosed
US-20100099673-A1 DECAHYDROQUINOLINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK SHARP & DOHME CORP. 2010-04-22 US disclosed
US-20100099673-A1 DECAHYDROQUINOLINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK SHARP & DOHME CORP. 2010-04-22 US disclosed
EP-2124568-A1 DECAHYDROQUINOLINE ANALOGS AS CB2 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-12-02 EP disclosed
WO-2008088744-A1 DECAHYDROQUINOLINE ANALOGS AS CB2 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-07-24 WO disclosed
WO-2008088744-A1 DECAHYDROQUINOLINE ANALOGS AS CB2 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-07-24 WO disclosed
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed
US-4663330-A CARDIOVASCULAR DISORDERS SANOFI (FR) 1987-05-05 US disclosed
US-4332805-A FOR HUMAN AND VETERINARY MEDICINE SANOFI (FR) 1982-06-01 US disclosed
US-4173636-A Decahydroquinolines, pharmaceutical compositions and methods of use LABAZ (FR) 1979-11-06 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 (2 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-20210371388-A1 Bicyclic Carboxamide with Exocyclic Urea Derivatives as Antivirals for the Treatment of HBV Infection EFTUD2, UGP2, UMPS LMNA 922/4885TSHR 2961/4885PARP1 939/4885
US-20100099673-A1 DECAHYDROQUINOLINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 LMNA 4217/4885TSHR 709/4885PARP1 2167/4885

“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.