SCHEMBL507652

SCHEMBL507652

CC(C)(C)c1cccc(CN)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.50
PNMT P11086 1/20 0.48
ENPP2 Q13822 1/20 0.48
LOXL2 Q9Y4K0 3/20 0.48
TAAR1 Q96RJ0 1/20 0.46
NOS1 P29475 4/20 0.44
NOS2 P35228 4/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NOS3 P29474 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL29755008 1.00 KIF11 (0.50) KIF11PNMTENPP2LOXL2TAAR1
Hydrochloric Acid SCHEMBL31072779 0.98 KIF11 (0.49) KIF11PNMTENPP2LOXL2TAAR1
SCHEMBL4454237 0.85 KIF11 (0.49) KIF11PNMTENPP2LOXL2TAAR1
SCHEMBL1908518 0.83 ENPP2 (0.50) KIF11PNMTENPP2LOXL2TAAR1
SCHEMBL27476979 0.83 KIF11 (0.47) KIF11PNMTENPP2LOXL2TAAR1
SCHEMBL12024583 0.83 TAAR1 (0.52) KIF11PNMTENPP2LOXL2TAAR1
SCHEMBL28275380 0.83 PNMT (0.50) KIF11PNMTENPP2LOXL2TAAR1
SCHEMBL2911870 0.83 TAAR1 (0.67) KIF11LOXL2TAAR1NOS1MAOB
SCHEMBL1653927 0.82 KIF11 (0.49) KIF11HTR2AHTR2CHTR2BBCHE
SCHEMBL30573009 0.82 KIF11 (0.49) KIF11HTR2AHTR2CHTR2BBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119140080-B Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof 中国科学院理化技术研究所 2025-02-11 CN claimed
CN-119140080-A Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof 中国科学院理化技术研究所 2024-12-17 CN claimed
EP-4153561-B1 9H-FLUOREN DERIVATES OR THEIR PHARMACEUTICALLY ACCEPTABLE SALTS UNIV JAGIELLONSKI (PL) 2026-04-29 EP disclosed
US-12492163-B2 9H-fluorene derivatives or their pharmaceutically acceptable salts UNIWERSYTET JAGIELLONSKI (PL) 2025-12-09 US disclosed
CN-119822990-A Adamantane isopropanolamine structure compound and preparation method and application thereof 贵州大学 2025-04-15 CN disclosed
CN-119140080-B Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof 中国科学院理化技术研究所 2025-02-11 CN disclosed
US-20250002452-A1 BICYCLOPENTANE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2025-01-02 US disclosed
EP-4479377-A1 NEW BICYCLOPENTANE DERIVATIVES Icagen, LLC (US) 2024-12-25 EP disclosed
CN-119140080-A Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof 中国科学院理化技术研究所 2024-12-17 CN disclosed
US-20240051975-A1 NOVEL NAMPT ENZYME AGONIST AND PREPARATION AND USE THEREOF TSINGHUA UNIVERSITY (CN) 2024-02-15 US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
EP-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 EP disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
US-6818640-B1 BIND SELECTIVELY TO CANNABINOID 2 RECEPTOR; ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2004-11-16 US disclosed
CN-1514831-A Medicinal composition containing 1,3-thiazine derivative ��Ұ����ҩ��ʽ���� 2004-07-21 CN disclosed
US-20040116326-A1 Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO., LTD. (JP) 2004-06-17 US disclosed
EP-1375489-A1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2004-01-02 EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 WO disclosed
CN-1387519-A 2-imino-1, 3-thiazine derivatives SHIONOGI & CO (JP) 2002-12-25 CN disclosed
EP-1219612-A1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 EP 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 (4 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-20250002452-A1 BICYCLOPENTANE DERIVATIVES BICRA, C1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KIF11 445/4885PNMT 4869/4885ENPP2 3961/4885
US-20240051975-A1 NOVEL NAMPT ENZYME AGONIST AND PREPARATION AND USE THEREOF NAMPT, NAT1, SIRT1 KIF11 2696/4885PNMT 391/4885ENPP2 980/4885
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KIF11 4517/4885PNMT 3623/4885ENPP2 497/4885
US-12492163-B2 9H-fluorene derivatives or their pharmaceutically acceptable salts BACE1, BACE2, APP KIF11 3851/4885PNMT 476/4885ENPP2 2576/4885

“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.