SCHEMBL1041663

SCHEMBL1041663

COc1ccc2c(N3CCNCC3)ccnc2c1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.81
ADRB2 P07550 3/20 0.65
GAA P10253 1/20 0.59
HTR3E A5X5Y0 2/20 0.56
HTR3B O95264 2/20 0.56
HTR3A P46098 2/20 0.56
HTR3D Q70Z44 2/20 0.56
HTR3C Q8WXA8 2/20 0.56
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ADRB1 P08588 3/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL6636311 0.89 NCF1 (1.00) NCF1ADRB2GAAHTR3EHTR3B
SCHEMBL5133941 0.87 GAA (0.63) NCF1ADRB2GAANPC1PKM
Hydrochloric Acid SCHEMBL5035840 0.86 GAA (0.62) NCF1ADRB2GAANPC1PKM
SCHEMBL22441572 0.82 NCF1 (1.00) NCF1ADRB2HTR3EHTR3BHTR3A
SCHEMBL30061172 0.82 NCF1 (0.70) NCF1ADRB2PKMALOX15CASP1
SCHEMBL28754396 0.81 NCF1 (0.55) NCF1ADRB2GAA
SCHEMBL30061178 0.81 GAA (0.59) NCF1GAANPC1PKMALOX15
SCHEMBL24009026 0.80 GAA (0.55) NCF1ADRB2GAANPC1PKM
SCHEMBL22445574 0.80 GAA (0.55) NCF1ADRB2GAANPC1PKM
SCHEMBL1043251 0.79 NCF1 (0.70) NCF1ADRB2PKMALOX15CASP1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612384-B2 Heterocyclic CYP4A inhibitor compounds and compositions thereof MBD Co., Ltd. (KR) 2026-04-28 US disclosed
US-12479821-B2 Quinoline compound and use thereof MBD Co., Ltd. (KR) 2025-11-25 US disclosed
US-20240287032-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF MBD Co., Ltd. (KR) 2024-08-29 US disclosed
US-20220402890-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF MBD CO., LTD (KR) 2022-12-22 US disclosed
US-20220402890-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF MBD CO., LTD (KR) 2022-12-22 US disclosed
WO-2022235091-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF 엠비디 주식회사 2022-11-10 WO disclosed
WO-2021096335-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF 엠비디 주식회사 2021-05-20 WO disclosed
WO-2021096335-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF 엠비디 주식회사 2021-05-20 WO disclosed
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7148221-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-12 US disclosed
US-7144888-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-05 US disclosed
EP-1717220-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-11-02 EP disclosed
EP-1688408-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-08-09 EP disclosed
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP disclosed
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-04-29 US disclosed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 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-20240287032-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF CYP4B1, CYP4A11, CYP3A4 NCF1 2417/4885ADRB2 916/4885GAA 324/4885
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NCF1 2882/4885ADRB2 138/4885GAA 1158/4885
US-12479821-B2 Quinoline compound and use thereof CYP4A11, CYP7A1, CYP4B1 NCF1 2257/4885ADRB2 1647/4885GAA 228/4885
US-12612384-B2 Heterocyclic CYP4A inhibitor compounds and compositions thereof CYP4A11, CYP4B1, CYP4A22 NCF1 2221/4885ADRB2 288/4885GAA 940/4885
US-20220402890-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF CYP4A11, CYP4B1, CYP4A22 NCF1 2403/4885ADRB2 1242/4885GAA 234/4885
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NCF1 2882/4885ADRB2 138/4885GAA 1158/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NCF1 2644/4885ADRB2 118/4885GAA 1135/4885

“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.