SCHEMBL876741

SCHEMBL876741

N#CC1(c2ccc(Cl)nc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
OPRM1 P35372 4/20 0.41
TNF P01375 1/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5AP P20292 1/20 0.34
MAP3K12 Q12852 1/20 0.34

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
SCHEMBL28595299 0.97 MAP4K4 (0.48) MAP4K4OPRM1TNFSLC6A4SLC6A3
SCHEMBL15821832 0.95 MAP4K4 (0.47) MAP4K4OPRM1TNFSLC6A4SLC6A3
SCHEMBL350982 0.93 OPRM1 (0.42) MAP4K4OPRM1TNF
SCHEMBL29574467 0.93 OPRM1 (0.42) MAP4K4OPRM1TNF
SCHEMBL15129658 0.85 OPRM1 (0.38) MAP4K4OPRM1TNFSLC6A4SLC6A3
SCHEMBL5309575 0.85 OPRM1 (0.38) MAP4K4OPRM1TNFMAP3K12
SCHEMBL15129340 0.84 PDE4A (0.41) MAP4K4OPRM1TNFSLC6A4SLC6A3
SCHEMBL31014508 0.81 OPRM1 (0.33) MAP4K4OPRM1TNFNPC1RAB9A
SCHEMBL30485528 0.79 MAP4K4 (0.42) MAP4K4OPRM1MEN1NPC1ALDH1A1
SCHEMBL20489483 0.79 MAP4K4 (0.45) MAP4K4OPRM1MEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2023-10-26 US disclosed
EP-3372601-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2022-09-21 EP disclosed
US-20220054486-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC (US) 2022-02-24 US disclosed
WO-2021104186-A1 NOVEL SALTS OF INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS InventisBio Co., Ltd. (CN) 2021-06-03 WO disclosed
WO-2021102618-A1 NOVEL SALTS OF INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS InventisBio Co., Ltd. (CN) 2021-06-03 WO disclosed
US-10980807-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) INVENTISBIO LLC (US) 2021-04-20 US disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-20200046697-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2020-02-13 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
WO-2013116182-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 WO disclosed
US-20130196967-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-20130196967-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
EP-2619197-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-07-31 EP disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120295896-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-22 US disclosed
US-20120295896-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-22 US disclosed
US-20120295896-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-22 US disclosed
WO-2012040139-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 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 (9 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-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT MAP4K4 3728/4885OPRM1 1965/4885TNF 1183/4885
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S MAP4K4 3244/4885OPRM1 4011/4885TNF 925/4885
US-20130196967-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 MAP4K4 3224/4885OPRM1 1289/4885TNF 507/4885
US-20120295896-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 MAP4K4 3673/4885OPRM1 2049/4885TNF 751/4885
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND KAT2A, KAT7, KAT5 MAP4K4 678/4885OPRM1 3847/4885TNF 4236/4885
US-20220054486-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT MAP4K4 3728/4885OPRM1 1965/4885TNF 1183/4885
US-20200046697-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT MAP4K4 3728/4885OPRM1 1965/4885TNF 1183/4885
US-10980807-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) IDO1, IDO2, INMT MAP4K4 3728/4885OPRM1 1965/4885TNF 1183/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 MAP4K4 895/4885OPRM1 3883/4885TNF 3931/4885

“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.