SCHEMBL113089

SCHEMBL113089

NCc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.74
HRH3 Q9Y5N1 4/20 0.71
SMN1; SMN2 Q16637 2/20 0.61
NOS1 P29475 2/20 0.57
NOS3 P29474 1/20 0.57
NOS2 P35228 1/20 0.57
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
KCNJ1 P48048 1/20 0.56
CYP2A13 Q16696 2/20 0.55
PRMT6 Q96LA8 2/20 0.54
CA2 P00918 1/20 0.54
CHKA P35790 1/20 0.54
AOC3 Q16853 1/20 0.53
CXCR4 P61073 1/20 0.52
HIF1A Q16665 2/20 0.51
EPAS1 Q99814 2/20 0.51
HPGD P15428 1/20 0.51

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
Benzylamine SCHEMBL27789840 0.91 NCF1 (0.78) NCF1HRH3SMN1; SMN2NOS1ALDH1A1
SCHEMBL26094765 0.90 NCF1 (0.62) NCF1HRH3SMN1; SMN2NOS1NOS3
SCHEMBL15467001 0.89 HRH3 (0.87) NCF1HRH3SMN1; SMN2NOS1NOS3
Hydrochloric Acid SCHEMBL26095071 0.88 NCF1 (0.60) NCF1HRH3SMN1; SMN2NOS1NOS3
SCHEMBL110388 0.85 NCF1 (1.00) NCF1HRH3SMN1; SMN2NOS1ALDH1A1
SCHEMBL29350303 0.85 NCF1 (1.00) NCF1HRH3SMN1; SMN2NOS1ALDH1A1
SCHEMBL24564964 0.85 PRMT6 (0.69) NCF1HRH3ALDH1A1LMNAPRMT6
SCHEMBL27630736 0.85 HRH3 (0.67) NCF1HRH3SMN1; SMN2NOS1NOS3
SCHEMBL3719689 0.84 NCF1 (0.73) NCF1HRH3SMN1; SMN2NOS1ALDH1A1
SCHEMBL60797 0.84 HRH3 (0.71) NCF1HRH3SMN1; SMN2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113956489-A Modified epoxy emulsifier, preparation method thereof and self-modified epoxy emulsion 重庆国际复合材料股份有限公司 2022-01-21 CN claimed
US-RE50878-E1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2026-05-05 US disclosed
US-12227482-B2 Compounds and compositions for the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-02-18 US disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
CN-114075180-B Immunomodulatory compounds and anti-tumor applications thereof 上海科技大学 2024-04-05 CN disclosed
CN-112601751-B Fused thiophene compounds 拜欧斯瑞克斯公司 2024-04-02 CN disclosed
EP-4339192-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER The Regents of the University of California (US) 2024-03-20 EP disclosed
EP-3478284-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER UNIV CALIFORNIA (US) 2023-10-04 EP disclosed
US-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-09-28 US disclosed
CN-115057831-B Thiadiazole compound and application thereof in preparation of KKBC 1 protein inhibitor 中国医科大学附属盛京医院 2023-08-04 CN disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
US-20060293379-A1 Quaternary salt CCR2 antagonists KENVUE BRANDS LLC 2006-12-28 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed
WO-2006031929-A2 THIAZOLOPYRIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-23 WO disclosed
US-20060058341-A1 Thiazolopyridine kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-16 US disclosed
WO-2006012135-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N. V. (BE) 2006-02-02 WO disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 US disclosed
US-20050038014-A1 5'-carbamoyl-1,1' biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-02-17 US disclosed
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 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 (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-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF TNF, NFATC1, IL2 NCF1 214/4885HRH3 3768/4885SMN1; SMN2 3725/4885
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 NCF1 1648/4885HRH3 168/4885SMN1; SMN2 3900/4885
US-20050038014-A1 5'-carbamoyl-1,1' biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors MAPK1, MAP4K2, MAP3K1 NCF1 1197/4885HRH3 2019/4885SMN1; SMN2 2814/4885
US-20060058341-A1 Thiazolopyridine kinase inhibitors PRKACA, PRKCE, MAP3K9 NCF1 1643/4885HRH3 2613/4885SMN1; SMN2 4831/4885
US-12227482-B2 Compounds and compositions for the treatment of cancer TP53, HCCS, CFTR NCF1 1147/4885HRH3 2857/4885SMN1; SMN2 3421/4885
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 NCF1 1315/4885HRH3 271/4885SMN1; SMN2 4257/4885
US-20060293379-A1 Quaternary salt CCR2 antagonists CCR2, CCR1, CXCR2 NCF1 420/4885HRH3 790/4885SMN1; SMN2 2630/4885

“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.