SCHEMBL1206008

SCHEMBL1206008

CC(C)(C)OC(=O)n1cc(I)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.45
SCD O00767 1/20 0.42
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
NR1H2 P55055 1/20 0.36
ELANE P08246 2/20 0.35
BCHE P06276 1/20 0.34
GPR119 Q8TDV5 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
FAAH O00519 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
PLAU P00749 1/20 0.32
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL427252 0.81 NOS1 (0.46) ROCK2SCDELANEBCHEGPR119
SCHEMBL17648499 0.81 ROCK2 (0.43) ROCK2SCDNR1H2ELANEBCHE
SCHEMBL21121081 0.80 ROCK2 (0.41) ROCK2SCDGABRG2GABRB3GABRA5
SCHEMBL2549524 0.79 ELANE (0.47) ROCK2SCDNR1H2ELANEBCHE
SCHEMBL18083986 0.79 ROCK2 (0.43) ROCK2SCDNR1H2ELANEBCHE
SCHEMBL11901149 0.79 ROCK2 (0.43) ROCK2SCDGABRG2GABRB3GABRA5
SCHEMBL671541 0.79 ROCK2 (0.45) ROCK2SCDNR1H2ELANEBCHE
SCHEMBL22353102 0.78 ROCK2 (0.42) ROCK2SCDELANEGPR119PLAU
SCHEMBL27787108 0.78 ROCK2 (0.42) ROCK2SCDELANEGPR119KDM4E
SCHEMBL13267264 0.78 SCD (0.44) ROCK2SCDNR1H2ELANEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139546-B2 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2015-09-22 US claimed
US-20110207748-A1 Tri-Aryl/Heteroaromatic Cannabinoids and Use Thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2011-08-25 US claimed
US-7888365-B2 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2011-02-15 US claimed
EP-2131655-A2 TRI-ARYL/HETEROAROMATIC CANNABINOIDS AND USE THEREOF The University of Tennessee Research Foundation (US) 2009-12-16 EP claimed
US-20080234293-A1 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2008-09-25 US claimed
WO-2008109027-A2 TRI-ARYL/HETEROAROAROMATIC CANNABINOIDS AND USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2008-09-12 WO claimed
US-20260137706-A1 METHODS OF TREATING INFLAMMATORY DISEASES INTERLINE THERAPEUTICS INC (US) 2026-05-21 US disclosed
EP-4724440-A1 METHODS OF TREATING INFLAMMATORY DISEASES Interline Therapeutics, Inc. (US) 2026-04-15 EP disclosed
US-20250171439-A1 INDOLIN-2-ONE OR PYRROLO -PYRIDIN -2 -ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2025-05-29 US disclosed
US-20250051313-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS SITRYX THERAPEUTICS LIMITED (GB) 2025-02-13 US disclosed
WO-2024254539-A1 METHODS OF TREATING INFLAMMATORY DISEASES INTERLINE THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed
US-20240368078-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2024-11-07 US disclosed
WO-2024217515-A1 HETEROCYCLIC RING-SUBSTITUTED AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海复宏汉霖生物技术股份有限公司 2024-10-24 WO disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO disclosed
US-20080234293-A1 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2008-09-25 US disclosed
WO-2008109027-A2 TRI-ARYL/HETEROAROAROMATIC CANNABINOIDS AND USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2008-09-12 WO disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO 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 (6 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-20260137706-A1 METHODS OF TREATING INFLAMMATORY DISEASES NR3C1, CCR1, CXCR2 ROCK2 2466/4885SCD 1301/4885GABRG2 2703/4885
US-20080234293-A1 Tri-aryl/heteroaromatic cannabinoids and use thereof CNR1, CNR2, OPRM1 ROCK2 4047/4885SCD 1515/4885GABRG2 142/4885
US-20250051313-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS PDK4, PDK2, PDK3 ROCK2 3464/4885SCD 1549/4885GABRG2 3628/4885
US-20110207748-A1 Tri-Aryl/Heteroaromatic Cannabinoids and Use Thereof CNR1, CNR2, OPRM1 ROCK2 4047/4885SCD 1515/4885GABRG2 142/4885
US-20240368078-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNH2, KCNH3 ROCK2 4497/4885SCD 3613/4885GABRG2 279/4885
US-20250171439-A1 INDOLIN-2-ONE OR PYRROLO -PYRIDIN -2 -ONE DERIVATIVES GRIN2B, HTR2B, HTR1A ROCK2 253/4885SCD 1617/4885GABRG2 393/4885

“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.