SCHEMBL373584

SCHEMBL373584

c1cc(C2CCNCC2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
HTR2C P28335 6/20 0.57
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
QDPR P09417 1/20 0.47
TLR9 Q9NR96 2/20 0.44
TLR8 Q9NR97 2/20 0.44
TLR7 Q9NYK1 2/20 0.44
HTR3A P46098 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
P2RY14 Q15391 1/20 0.44
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42
ADRB2 P07550 1/20 0.42
NCF1 P14598 1/20 0.42
PLD1 Q13393 1/20 0.42
MAPK13 O15264 1/20 0.42
RAF1 P04049 1/20 0.42
MAPK9 P45984 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 SCHEMBL27942946 0.98 SLC18A3 (0.59) SLC18A3SIGMAR1HTR2CMKNK1MKNK2
Hydrochloric Acid SCHEMBL31401438 0.90 SLC18A3 (0.52) SLC18A3SIGMAR1HTR2CMKNK1MKNK2
SCHEMBL5042762 0.87 HTR3A (0.60) SLC18A3SIGMAR1HTR2CMKNK1MKNK2
SCHEMBL1189629 0.87 HTR3A (0.60) SLC18A3SIGMAR1HTR2CMKNK1MKNK2
Hydrochloric Acid SCHEMBL5874037 0.85 HTR3A (0.58) SLC18A3SIGMAR1HTR2CMKNK1MKNK2
Hydrochloric Acid SCHEMBL3543860 0.85 HTR3A (0.58) SLC18A3SIGMAR1HTR2CMKNK1MKNK2
Trifluoroacetic Acid SCHEMBL26600330 0.83 HTR2C (0.54) SLC18A3SIGMAR1HTR2CHRH3P2RY14
SCHEMBL1515255 0.83
Tert-Butyl Formate SCHEMBL27745536 0.80 HTR2C (0.44) SLC18A3SIGMAR1HTR2CMKNK1MKNK2
SCHEMBL25402303 0.79 SLC18A3 (0.52) SLC18A3SIGMAR1HTR2CMKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036599-A Dibenzylbutane lignan LCA analogue, and preparation method and application thereof 浙江中医药大学 2026-05-15 CN claimed
US-20240368088-A1 EP4 ANTAGONIST COMPOUND AS WELL AS SALT, POLYMORPH AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2024-11-07 US claimed
EP-4397654-A1 EP4 ANTAGONIST COMPOUND AS WELL AS SALT, POLYMORPH, AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2024-07-10 EP claimed
US-11932602-B2 Method for preparing nicotinamide mononucleotide cocrystal BONTAC BIO-ENGINEERING(SHENZHEN) CO., LTD (CN) 2024-03-19 US claimed
US-20230263793-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING VIRAL INFECTIONS MANENT TOMAS LLUIS (ES) 2023-08-24 US claimed
EP-4199915-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING VIRAL INFECTIONS MANENT TOMAS, Lluís (ES) 2023-06-28 EP claimed
US-20220411376-A1 METHOD FOR PREPARING NICOTINAMIDE MONONUCLEOTIDE COCRYSTAL BONTAC BIO-ENGINEERING(SHENZHEN) CO.,LTD (CN) 2022-12-29 US claimed
US-20220402961-A1 NICOTINAMIDE MONONUCLEOTIDE-ISONICOTINE COCRYSTAL AND COMPOSITION THEREOF ZHONGSHAN BONTAC BIO-TECHNOLOGY CO. , LTD (CN) 2022-12-22 US claimed
CN-115246830-A Solid form of acid and preparation method thereof 广东东阳光药业有限公司 2022-10-28 CN claimed
CN-111574686-B Star-shaped multi-response shape memory polyurethane composite material and preparation method thereof 广东石油化工学院 2022-05-17 CN claimed
CN-104177308-A Three novel febuxostat medicament eutectic crystals and preparation method thereof UNIV ZHEJIANG CHINESE MEDICAL 2014-12-03 CN claimed
CN-103864606-A Eutectic of diflunisal and pyridine formamide compounds and preparation method thereof SUZHOU INST NANO TECH & NANO B 2014-06-18 CN claimed
CN-102503886-B Agomelatine-isonicotine eutectic crystal and compound and preparation method thereof UNIV SUN YAT SEN 2013-09-11 CN claimed
CN-102093336-B Method for extracting alkaloid by utilizing waste water and sludge of tobaccos WUHAN DANYAXIANG TECH DEV CO 2013-02-13 CN claimed
CN-102503886-A Agomelatine-isonicotine eutectic crystal and compound and preparation method thereof UNIV SUN YAT SEN 2012-06-20 CN claimed
CN-102093336-A Method for extracting alkaloid by utilizing waste water and sludge of tobaccos WUHAN DANYAXIANG TECH DEV CO 2011-06-15 CN claimed
CN-100569747-C Sulfydryl-phenyl-naphthyl-methane Derivatives and preparation thereof COUNCIL SCIENT IND RES (IN) 2009-12-16 CN claimed
CN-1802348-A Mercapto-phenyl-naphthyl-methane derivatives and preparation thereof COUNCIL SCIENT IND RES (IN) 2006-07-12 CN claimed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US claimed
WO-1995020637-A2 HYDROCARBON OIL-AQUEOUS FUEL AND ADDITIVE COMPOSITIONS MEG S.N.C. DI SCOPELLITI SOFIA & C. (IT) 1995-08-03 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20240368088-A1 EP4 ANTAGONIST COMPOUND AS WELL AS SALT, POLYMORPH AND USE THEREOF PTGER4, PTGER1, PTGER2 SLC18A3 4025/4885SIGMAR1 565/4885HTR2C 353/4885

“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.