SCHEMBL794147

SCHEMBL794147

CNC1CCCC[C@@H]1NC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
EPHX1 P07099 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
SCHEMBL113491 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10KDM4EEPHX1
SCHEMBL30327955 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10KDM4EEPHX1
SCHEMBL145251 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10KDM4EEPHX1
SCHEMBL120496 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10KDM4EEPHX1
SCHEMBL145249 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10KDM4EEPHX1
SCHEMBL428868 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10KDM4EEPHX1
SCHEMBL2745491 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10KDM4EEPHX1
SCHEMBL24062219 0.96 ALDH1A1 (0.37) ALDH1A1HSD17B10KDM4EEPHX1
Hydrochloric Acid SCHEMBL4083778 0.96 ALDH1A1 (0.30) ALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL31511693 0.96 ALDH1A1 (0.30) ALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233853-A1 A PROCESS FOR PREPARING HALOGENATED AZAINDOLE COMPOUNDS USING BOROXINE VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2017-10-25 EP claimed
WO-2016100633-A1 A PROCESS FOR PREPARING HALOGENATED AZAINDOLE COMPOUNDS USING BOROXINE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-23 WO claimed
WO-2016100625-A1 A PROCESS FOR PREPARING HALOGENATED AZAINDOLE COMPOUNDS USING BOROXINE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-23 WO claimed
EP-1390340-A4 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2007-07-25 EP claimed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 EP claimed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 WO claimed
US-20260078117-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS INC (US) 2026-03-19 US disclosed
EP-4709718-A1 6-SUBSTITUTED-3-PHENYL-ISOINDOLIN-1-ONES AS CBL-B INHIBITORS SELECTIVE OVER C-CBL Genentech Inc. (US) 2026-03-18 EP disclosed
US-20250223263-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2025-07-10 US disclosed
US-20250163048-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2025-05-22 US disclosed
US-12304907-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-05-20 US disclosed
US-12264154-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-04-01 US disclosed
US-12247011-B2 Selective inhibitors of NLRP3 inflammasome NodThera Limited (GB) 2025-03-11 US disclosed
WO-2010034110-A1 BETA-CARBOLINE SULPHONYLUREA DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2010-04-01 WO disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 US disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed
EP-1534671-A4 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2007-10-24 EP disclosed
EP-1534671-A2 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-06-01 EP disclosed
WO-2004013094-A2 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-12 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 (7 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-12247011-B2 Selective inhibitors of NLRP3 inflammasome NLRP3, NOD1, NLRP1 ALDH1A1 961/4885HSD17B10 2531/4885KDM4E 3974/4885
US-20250223263-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, NLRP1 ALDH1A1 961/4885HSD17B10 2531/4885KDM4E 3974/4885
US-20090275592-A1 Heterocyclic modulators of PKB MTOR, PDK1, EIF4EBP1 ALDH1A1 3902/4885HSD17B10 1199/4885KDM4E 2597/4885
US-20250163048-A1 COMPOUNDS AND METHODS OF USE RB1, CYP1B1, REN ALDH1A1 79/4885HSD17B10 1586/4885KDM4E 1882/4885
US-12264154-B2 Compounds and methods of use F12, C1R, ABCG2 ALDH1A1 128/4885HSD17B10 1375/4885KDM4E 3895/4885
US-12304907-B2 Compounds and methods of use F12, C1R, ABCG2 ALDH1A1 128/4885HSD17B10 1375/4885KDM4E 3895/4885
US-20260078117-A1 COMPOUNDS AND METHODS OF USE NR3C2, ADRA1A, CNR1 ALDH1A1 100/4885HSD17B10 410/4885KDM4E 4822/4885

“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.