SCHEMBL6562804

SCHEMBL6562804

CCCc1cccnc1CCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.46
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
ADRA2A P08913 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
NMT1 P30419 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
HTR1A P08908 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37

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
Water SCHEMBL27859416 0.98 GRM5 (0.45) GRM5ADRA2BADRA2CADRA2APDE3B
Ammonia Solution, Strong SCHEMBL27809045 0.98 GRM5 (0.45) GRM5ADRA2BADRA2CADRA2APDE3B
SCHEMBL13073704 0.90 GRM5 (0.43) GRM5ADRA2BADRA2CADRA2AALDH1A1
SCHEMBL13964173 0.89 GRM5 (0.41) GRM5ADRA2BADRA2CADRA2APDE3B
SCHEMBL13964873 0.89 GRM5 (0.49) GRM5ADRA2BADRA2CADRA2APDE3B
Formamide SCHEMBL27772867 0.89 GRM5 (0.40) GRM5ADRA2BADRA2CADRA2APDE3B
SCHEMBL24701183 0.88 GRM5 (0.42) GRM5ADRA2BADRA2CADRA2ANMT1
SCHEMBL20818101 0.86 GRM5 (0.40) GRM5ADRA2BADRA2CADRA2APDE3B
SCHEMBL5102711 0.86 L3MBTL1 (0.47) GRM5PDE3BPDE3ANMT1ALDH1A1
SCHEMBL2090444 0.86 GRM5 (0.43) GRM5ADRA2BADRA2CADRA2APDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100366605-C Compounds to treat alzheimer's disease ELAN PHARM INC (US) 2008-02-06 CN claimed
CN-1447789-A Compounds for treating alzheimer's disease ELAN PHARM INC (US) 2003-10-08 CN claimed
CN-112996788-B Anthelmintic heterocyclic compounds 勃林格殷格翰动物保健美国公司 2024-07-16 CN disclosed
CN-116897044-A Parasiticidal rings comprising isoxazoline compounds 勃林格殷格翰动物保健有限公司 2023-10-17 CN disclosed
CN-110403937-A Parasiticidal oral veterinary compositions comprising systemically acting active agents, methods and uses thereof BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC 2019-11-05 CN disclosed
CN-105884693-B The composition of Parasiticidal comprising benzimidizole derivatives, method and purposes Merria Co., Ltd. (US) 2019-11-01 CN disclosed
CN-110381738-A Pesticide and Parasiticidal vinyl isoxazoline compound 勃林格殷格翰动物保健美国公司 2019-10-25 CN disclosed
CN-110251509-A Parasiticidal oral veterinary compositions comprising systemically acting active agents, methods and uses thereof 勃林格殷格翰动物保健美国公司 2019-09-20 CN disclosed
CN-110167921-A ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS 勃林格殷格翰动物保健美国公司 2019-08-23 CN disclosed
CN-109068651-A Antiparasitic isoxazoline compounds, long-acting injectable formulations containing them, methods and uses thereof 梅里亚股份有限公司 2018-12-21 CN disclosed
CN-105232529-B The Moxidectin preparaton and Moxidectin crystal form of long-acting injectable 梅里亚有限公司 2018-11-23 CN disclosed
US-7834182-B2 histamine H3 receptor antagonists; metabolic disorders, sleep disorders, cardiovascular disorders, alcoholism, drug addiction, memory disorders, Alzheimer's, Parkinson's disease; 2-(4-piperidinylpiperidinyl)pyrimidine compounds such as 2-[(4-piperidin-1-yl)piperidin-1-yl]-5-(3-pyridyl)pyrimidine BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20090203710-A1 Novel piperidine derivative MSD K.K. (JP) 2009-08-13 US disclosed
CN-100366605-C Compounds to treat alzheimer's disease ELAN PHARM INC (US) 2008-02-06 CN disclosed
US-20070105901-A1 Novel piperidine derivative MSD K.K. (JP) 2007-05-10 US disclosed
CN-1612871-A Processes and intermediates for preparing benzyl epoxides ELAN PHARM INC (US) 2005-05-04 CN disclosed
EP-0891970-B1 Process for producing alkenylsubstituted pyridine derivatives SUMITOMO CHEMICAL CO (JP) 2004-10-13 EP disclosed
CN-1447789-A Compounds for treating alzheimer's disease ELAN PHARM INC (US) 2003-10-08 CN disclosed
US-6008364-A Process for producing alkenyl--substituted pyridine derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-28 US disclosed
EP-0891970-A1 Process for producing alkenylsubstituted pyridine derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-01-20 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 (2 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-20070105901-A1 Novel piperidine derivative HRH3, OPRM1, OPRK1 GRM5 280/4885ADRA2B 153/4885ADRA2C 130/4885
US-20090203710-A1 Novel piperidine derivative HRH3, OPRM1, HRH4 GRM5 238/4885ADRA2B 144/4885ADRA2C 129/4885

“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.