SCHEMBL2031283

SCHEMBL2031283

COC1(OC)CC(C(N)=O)(c2ccc(Br)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
OPRL1 P41146 2/20 0.38
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HDAC1 Q13547 3/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
NPC1 O15118 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 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
SCHEMBL16699326 0.85 KMT2A (0.37) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL20703425 0.84 MEN1 (0.37) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL24608742 0.84 ALDH1A1 (0.41) LMNAOPRL1KMT2AALDH1A1KDM4E
SCHEMBL31115330 0.82 LMNA (0.40) LMNAMEN1KMT2AMAPTNPSR1
SCHEMBL14894428 0.78 OPRL1 (0.45) OPRL1
SCHEMBL14894433 0.77 SLC6A4 (0.44) LMNAOPRM1
SCHEMBL2130769 0.77 OPRL1 (0.44) LMNAOPRL1MEN1KMT2AHDAC1
SCHEMBL237739 0.74 OPRL1 (0.38) LMNAOPRL1RAB9AMAPTHDAC1
SCHEMBL1141468 0.74 LMNA (0.53) LMNAOPRL1MEN1KMT2AMAPK1
SCHEMBL237773 0.74 LMNA (0.49) LMNAOPRL1HDAC1ALDH1A1PDE4A

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 11 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
US-9221838-B2 Inhibitors of AKT activity ALMAC DISCOVERY LIMITED (IE) 2015-12-29 US disclosed
EP-2516435-B1 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LTD (GB) 2014-08-06 EP disclosed
US-20130116243-A1 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LIMITED (GB) 2013-05-09 US disclosed
EP-2516435-A1 INHIBITORS OF AKT ACTIVITY Almac Discovery Limited (GB) 2012-10-31 EP disclosed
WO-2011077098-A9 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LIMITED (GB) 2012-04-19 WO disclosed
WO-2011077098-A1 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LIMITED (GB) 2011-06-30 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 (3 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-20130116243-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 LMNA 3443/4885OPRL1 4483/4885MEN1 1436/4885
US-11319283-B2 Substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU LMNA 4584/4885OPRL1 2475/4885MEN1 2348/4885
US-20200277252-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU LMNA 4734/4885OPRL1 2153/4885MEN1 2583/4885

“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.