SCHEMBL84035

SCHEMBL84035

CC(C)c1cccc(CN)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.48
ENPP2 Q13822 1/20 0.48
LOXL2 Q9Y4K0 4/20 0.48
NOS1 P29475 4/20 0.44
NOS2 P35228 4/20 0.44
KIF11 P52732 2/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 2/20 0.43
NOS3 P29474 2/20 0.43
NFKB1 P19838 1/20 0.43
HDAC4 P56524 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MDM4 O15151 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TYR P14679 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
Hydrochloric Acid SCHEMBL3353456 0.98 PNMT (0.47) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL23861649 0.89 PNMT (0.40) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL12831490 0.87 PNMT (0.48) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL28856242 0.85 PNMT (0.47) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL29607349 0.83 ENPP2 (0.50) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL27986627 0.83 ENPP2 (0.50) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL8988941 0.83 ENPP2 (0.50) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL18798726 0.83 TAAR1 (0.57) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL3841734 0.83 TAAR1 (0.57) LOXL2NOS1KIF11ALDH1A1SMN1; SMN2
SCHEMBL27298195 0.83 PNMT (0.45) PNMTENPP2LOXL2NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-119970993-A Traditional Chinese medicine oral gargle for tissue repair and preparation method thereof 广东乐草元健康产业有限公司 2025-05-13 CN disclosed
EP-4393937-A1 STEROID COMPOUND AND CONJUGATE THEREOF Duality Biologics (Suzhou) Co., Ltd. (CN) 2024-07-03 EP disclosed
US-20240206470-A1 VOLATILE APPLICATIONS AGAINST PATHOGENS AGROFRESH INC (US) 2024-06-27 US disclosed
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PROMEGA CORPORATION 2024-02-29 US disclosed
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-01-11 US disclosed
US-11858946-B2 Small molecules active against gram-negative bacteria THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-01-02 US disclosed
US-11858946-B2 Small molecules active against gram-negative bacteria THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-01-02 US disclosed
WO-2023227698-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
WO-2005035535-A1 CERTAIN SUBSTITUTED SPIROCYCLIC LACTAMS AND USE THEREOF AS PHARMACEUTICALS NOVARTIS AG (CH) 2005-04-21 WO 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
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
US-4792628-A ANTIOXIDANTS, ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-12-20 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 (6 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-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 PNMT 410/4885ENPP2 187/4885LOXL2 1642/4885
US-20240206470-A1 VOLATILE APPLICATIONS AGAINST PATHOGENS OXA1L, VAPB, TIAL1 PNMT 3414/4885ENPP2 1635/4885LOXL2 114/4885
US-12492163-B2 9H-fluorene derivatives or their pharmaceutically acceptable salts BACE1, BACE2, APP PNMT 476/4885ENPP2 2576/4885LOXL2 3924/4885
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PGLS, AADAC, GLB1 PNMT 2823/4885ENPP2 178/4885LOXL2 2523/4885
US-11858946-B2 Small molecules active against gram-negative bacteria PGLS, MRPL21, CLPP PNMT 1477/4885ENPP2 1289/4885LOXL2 3586/4885
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD PNMT 3280/4885ENPP2 41/4885LOXL2 3529/4885

“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.