SCHEMBL118762

SCHEMBL118762

O=C1C=CNc2ccccc2[N]1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4262432 0.72 CYP1A2 (0.34) ALDH1A1GAA
SCHEMBL2936983 0.69 GAA (0.34) GAAMAPT
SCHEMBL2936988 0.69 GAA (0.34) GAAMAPT
SCHEMBL29786105 0.68 GAA (0.34) ALDH1A1LMNAGAAMAPT
SCHEMBL451291 0.66 GRK6 (0.32) GAAMAPT
SCHEMBL20723 0.66 MAPT (0.44) ALDH1A1LMNAGAAMAPT
SCHEMBL223884 0.66 MAPT (0.37) ALDH1A1LMNAGAAMAPT
SCHEMBL20505096 0.66 MAPT (0.44) ALDH1A1LMNAGAAMAPT
SCHEMBL2427433 0.64 ACVR1 (0.40) GAAMAPT
SCHEMBL240371 0.63 MAPT (0.43) ALDH1A1LMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265079-A1 INHIBITOR OF INDOLEAMINE 2,3-DIOXYGENASE-1 AND METHODS OF MANUFACTURE AND USE THEREOF UNIVERSITY HEALTH NETWORK (CA) 2023-08-24 US disclosed
US-11572354-B2 Inhibitor of indoleamine 2,3-dioxygenase-1 and methods of manufacture and use thereof UNIVERSITY HEALTH NETWORK (CA) 2023-02-07 US disclosed
US-20210053942-A1 INHIBITOR OF INDOLEAMINE 2,3-DIOXYGENASE-1 AND METHODS OF MANUFACTURE AND USE THEREOF UNIVERSITY HEALTH NETWORK (CA) 2021-02-25 US disclosed
US-20160089378-A1 TREATMENT OF OSTEOARTHRITIS PAIN ABBVIE INC (US) 2016-03-31 US disclosed
US-20160058894-A1 RADIOLABELED PDE10A LIGANDS ABBVIE DEUTSCHLAND (DE) 2016-03-03 US disclosed
US-9186353-B2 Treatment of osteoarthritis pain ABBVIE INC. (US) 2015-11-17 US disclosed
US-9138494-B2 Radiolabeled PDE10A ligands ABBVIE INC. (US) 2015-09-22 US disclosed
US-9108948-B2 Cyclopropyl amine derivatives ABBVIE INC. (US) 2015-08-18 US disclosed
EP-2049472-B1 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS ABBVIE BAHAMAS LTD (BS) 2015-01-21 EP disclosed
US-8853390-B2 Processes for preparing 1,2-substituted cyclopropyl derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives ABBOTT LABORATORIES (US) 2009-09-17 US disclosed
US-7576110-B2 Benzothiazole cyclobutyl amine derivatives ABBOTT LABORATORIES (US) 2009-08-18 US disclosed
WO-2009085945-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-07-09 WO disclosed
WO-2009079225-A1 CYCLOPROPYL AMINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-06-25 WO disclosed
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-06-25 US disclosed
US-20080242653-A1 Cyclopropyl amine derivatives ABBVIE INC. 2008-10-02 US disclosed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 US disclosed
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives ABBVIE INC. 2007-10-04 US disclosed
US-20070066588-A1 Benzothiazole cyclobutyl amine derivatives ABBVIE INC. 2007-03-22 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 (12 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-11572354-B2 Inhibitor of indoleamine 2,3-dioxygenase-1 and methods of manufacture and use thereof IDO1, IDO2, KYNU ALDH1A1 200/4885LMNA 4848/4885GAA 954/4885
US-20160089378-A1 TREATMENT OF OSTEOARTHRITIS PAIN HRH3, HRH4, HRH2 ALDH1A1 1727/4885LMNA 4711/4885GAA 3045/4885
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS ALDH1A1 411/4885LMNA 2301/4885GAA 128/4885
US-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives DPYD, TYMS, TYMP ALDH1A1 970/4885LMNA 1161/4885GAA 1873/4885
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives HRH4, HRH2, TAC3 ALDH1A1 1623/4885LMNA 4714/4885GAA 2591/4885
US-20160058894-A1 RADIOLABELED PDE10A LIGANDS PDE10A, PDE3A, PDE5A ALDH1A1 338/4885LMNA 1232/4885GAA 52/4885
US-20080194538-A1 Method for Pain Treatment HRH4, HRH3, HRH2 ALDH1A1 2001/4885LMNA 4720/4885GAA 3384/4885
US-20230265079-A1 INHIBITOR OF INDOLEAMINE 2,3-DIOXYGENASE-1 AND METHODS OF MANUFACTURE AND USE THEREOF IDO1, IDO2, INMT ALDH1A1 518/4885LMNA 4861/4885GAA 1284/4885
US-20080242653-A1 Cyclopropyl amine derivatives HRH3, HRH4, HRH2 ALDH1A1 1397/4885LMNA 3484/4885GAA 3139/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 ALDH1A1 738/4885LMNA 3397/4885GAA 1003/4885
US-20210053942-A1 INHIBITOR OF INDOLEAMINE 2,3-DIOXYGENASE-1 AND METHODS OF MANUFACTURE AND USE THEREOF IDO1, IDO2, KYNU ALDH1A1 200/4885LMNA 4848/4885GAA 954/4885
US-20070066588-A1 Benzothiazole cyclobutyl amine derivatives HRH2, HRH4, HRH1 ALDH1A1 926/4885LMNA 4292/4885GAA 1078/4885

“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.