SCHEMBL20899121

SCHEMBL20899121

O=C(Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3)CCC2)cc1)c1cncnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.48
NAMPT P43490 2/20 0.48
NT5E P21589 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.48
HDAC1 Q13547 2/20 0.46
WDR91 A4D1P6 1/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 1/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL29559879 0.87 IDO1 (0.56) KMT2AKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL20898426 0.87 IDO1 (0.56) KMT2AKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL20898603 0.82 IDO1 (0.59) NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL20898400 0.76 WDR91 (0.54) KMT2AHDAC1WDR91KDM4ELMNA
SCHEMBL16249346 0.76 WDR91 (0.53) HDAC1WDR91POLBHDAC3HDAC2
SCHEMBL20898315 0.75 IDO1 (0.69) P4HTMKMT2AKCNQ3KCNQ2KCNE1
SCHEMBL29559027 0.74 IDO1 (0.59) P4HTMKMT2AKCNQ3KCNQ2KCNE1
SCHEMBL20898327 0.74 IDO1 (0.59) P4HTMKMT2AKCNQ3KCNQ2KCNE1
SCHEMBL20898424 0.73 IDO1 (0.57) KMT2ANPC1KDM4EPKMRAB9A
SCHEMBL29559412 0.73 IDO1 (0.57) KMT2ANPC1KDM4EPKMRAB9A

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 12 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 claimed
US-11319283-B2 Substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2022-05-03 US claimed
US-20200277252-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-09-03 US claimed
EP-3694502-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-08-19 EP claimed
WO-2019074747-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-04-18 WO claimed
EP-3694502-B1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
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-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
US-20200277252-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-09-03 US 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

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-11319283-B2 Substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU P4HTM 3497/4885NAMPT 152/4885NT5E 1413/4885
US-20200277252-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU P4HTM 3513/4885NAMPT 207/4885NT5E 1086/4885

“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.