SCHEMBL4046273

SCHEMBL4046273

O=CC1(c2ccc(Br)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
LIG1 P18858 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
HDAC1 Q13547 2/20 0.31
HSD11B1 P28845 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CXCR3 P49682 1/20 0.31
PDE4A P27815 1/20 0.31

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
SCHEMBL4770412 0.91 LIG1 (0.37) CYP2A6LIG1MAOAMAOBPIM1
SCHEMBL20582009 0.91 LIG1 (0.41) CYP2A6LIG1MAOAMAOBPIM1
SCHEMBL28173283 0.86 MMP2 (0.35) LIG1MAOAMAOBPIM1PIM2
Hydrochloric Acid SCHEMBL28028597 0.85 MMP2 (0.35) LIG1MAOAMAOBPIM1PIM2
SCHEMBL14710732 0.81 TAAR1 (0.35) CYP2A6MAOAMAOBPIM1PIM2
SCHEMBL24775286 0.79 CNR1 (0.32) CYP2A6MAOAMAOBPIM1PIM2
SCHEMBL1543247 0.77
SCHEMBL8290260 0.77 CYP2A6 (0.41) CYP2A6MAOAMAOBPIM1PIM2
SCHEMBL1335909 0.77 ESR2 (0.46) KMT2ANPC1RAB9AMEN1
SCHEMBL20876290 0.77 CYP2A6 (0.36) CYP2A6LIG1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250361236-A9 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2025-11-27 US disclosed
EP-4635942-A1 QUINOLINE DERIVATIVE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Carephar Pharmaceutical Co., Ltd (CN) 2025-10-22 EP disclosed
WO-2025136811-A1 CHEMICAL COMPOUNDS AND USES THEREOF IDEAYA BIOSCIENCES, INC. (US) 2025-06-26 WO disclosed
WO-2025024726-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE KINNATE BIOPHARMA INC. (US) 2025-01-30 WO disclosed
US-20240400568-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2024-12-05 US disclosed
EP-4445902-A2 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2024-10-16 EP disclosed
EP-4081305-B1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES INC (JP) 2024-09-18 EP disclosed
US-12054490-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-08-06 US disclosed
WO-2024152743-A1 QUINOLINE DERIVATIVE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏柯菲平医药股份有限公司 2024-07-25 WO disclosed
CN-118373771-A Quinoline derivative compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 江苏柯菲平医药股份有限公司 2024-07-23 CN disclosed
EP-2755722-A2 NOVEL SGLT INHIBITORS Panacea Biotec Ltd. (IN) 2014-07-23 EP disclosed
WO-2013038429-A2 NOVEL SGLT INHIBITORS PANACEA BIOTEC LTD. (IN) 2013-03-21 WO disclosed
WO-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO disclosed
EP-1472244-A1 AROMATIC SULFONE HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2004-11-03 EP disclosed
US-20040209914-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2004-10-21 US disclosed
US-6683093-B2 ENZYME INHIBITORS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE PHARMACIA CORPORATION 2004-01-27 US disclosed
WO-2003045944-A1 AROMATIC SULFONE HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-06-05 WO disclosed
US-20030073718-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2003-04-17 US disclosed
US-6191282-B1 DERIVATIVES OF 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC RING IS USED AS ANTICARCINOGENIC AGENT AND ANTICOAGULANT HOECHST MARION ROUSSEL (DE) 2001-02-20 US disclosed
US-5981492-A ADMINISTERED TO THE PATIENT TO INHIBIT THROMBOCYTE AGGREGATION, THE METASTASIZATION OF CARCINOMA CELLS, THE BINDING OF OSTEOCLASTS TO THE BONE SURFACE, OR FOR THE TREATMENT OF THROMBOSES HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-09 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 (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-20240400568-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK CYP2A6 4305/4885LIG1 4624/4885MAOA 4176/4885
US-12054490-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK CYP2A6 4305/4885LIG1 4624/4885MAOA 4176/4885
US-20250361236-A9 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK CYP2A6 4305/4885LIG1 4624/4885MAOA 4176/4885
US-20030073718-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors MMP1, MMP7, MMP3 CYP2A6 1475/4885LIG1 3502/4885MAOA 341/4885
US-20040209914-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors MMP1, MMP7, MMP3 CYP2A6 1475/4885LIG1 3502/4885MAOA 341/4885

“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.