SCHEMBL2321833

SCHEMBL2321833

COC(=O)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.58
HSD11B1 P28845 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 4/20 0.53
MAPK1 P28482 1/20 0.53
THRB P10828 1/20 0.51
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL4939286 0.97 HDAC4 (0.63) HDAC4HSD11B1SMN1; SMN2MAPTALDH1A1
SCHEMBL5639097 0.95 HDAC4 (0.61) HDAC4HSD11B1SMN1; SMN2MAPTALDH1A1
SCHEMBL349454 0.93 ALDH1A1 (0.55) HDAC4HSD11B1SMN1; SMN2MAPTALDH1A1
SCHEMBL653528 0.85 DRD2 (0.51) HDAC4SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL11629543 0.85 OPRM1 (0.47) HDAC4HSD11B1SMN1; SMN2MAPTALDH1A1
SCHEMBL3486450 0.84 MAPT (0.51) HDAC4SMN1; SMN2MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL4447206 0.84 OPRM1 (0.50) HDAC4SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL14541572 0.83 HDAC4 (0.47) HDAC4HSD11B1SMN1; SMN2MAPTALDH1A1
SCHEMBL20703530 0.83 HDAC4 (0.46) HDAC4HSD11B1SMN1; SMN2MAPTALDH1A1
SCHEMBL3052103 0.83 HDAC1 (0.47) HDAC4HSD11B1SMN1; SMN2MAPTALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694502-B1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
US-11319283-B2 Substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2022-05-03 US disclosed
US-20200277252-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-09-03 US disclosed
EP-3694502-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-08-19 EP disclosed
WO-2019074747-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-04-18 WO disclosed
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP disclosed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
CN-101528713-A Pyridazine derivatives as inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 HOFFMANN LA ROCHE (CH) 2009-09-09 CN disclosed
US-7419999-B2 Gamma lactams as prostaglandin agonists and use thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-09-02 US disclosed
EP-1904455-A2 PYRIDAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
WO-2007038452-A1 PROCESS FOR SYNTHESIZING 1,2,4-TRIAZOLES MERCK & CO., INC. (US) 2007-04-05 WO disclosed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US disclosed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 WO disclosed
US-20050288357-A1 Gamma lactams as prostaglandin agonists and use thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-12-29 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 (4 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-11319283-B2 Substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU HDAC4 655/4885HSD11B1 227/4885SMN1; SMN2 2355/4885
US-20200277252-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU HDAC4 591/4885HSD11B1 298/4885SMN1; SMN2 2375/4885
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 HDAC4 414/4885HSD11B1 1/4885SMN1; SMN2 2843/4885
US-20050288357-A1 Gamma lactams as prostaglandin agonists and use thereof PGF, HPGDS, PTGIS HDAC4 2088/4885HSD11B1 161/4885SMN1; SMN2 1853/4885

“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.