SCHEMBL2182185

SCHEMBL2182185

[c]1ccc(NCCCN2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
HRH3 Q9Y5N1 7/20 0.46
MALT1 Q9UDY8 1/20 0.44
SCN5A Q14524 2/20 0.43
ACP1 P24666 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
MCHR1 Q99705 1/20 0.40
CACNA1B Q00975 2/20 0.39
MAPT P10636 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL2183046 0.98 BACE1 (0.49) BACE1HRH3MALT1SCN5AACP1
SCHEMBL2184005 0.89 APAF1 (0.43) HRH3MCHR1MAPT
SCHEMBL2181725 0.88 APAF1 (0.46) HRH3MAPT
SCHEMBL996593 0.85 RAB9A (0.50) L3MBTL1MAPT
SCHEMBL11093254 0.82 HRH3 (0.59) BACE1HRH3MALT1ACP1MAPT
SCHEMBL11090932 0.81 HRH3 (0.61) BACE1HRH3MALT1ACP1MAPT
Hydrochloric Acid SCHEMBL5755453 0.81 HRH3 (0.57) BACE1HRH3MALT1ACP1MAPT
SCHEMBL5755487 0.81 HRH3 (0.61) BACE1HRH3MALT1ACP1MAPT
Hydrochloric Acid SCHEMBL5754818 0.79 HRH3 (0.60) BACE1HRH3MALT1ACP1CHRM1
SCHEMBL3988708 0.79 BACE1 (0.50) BACE1HRH3MALT1SCN5ACHRM1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221577-A 2-Phenoxyquinoline derivative, and preparation method and application thereof 湖南中医药大学 2024-06-21 CN claimed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO claimed
CN-118221577-A 2-Phenoxyquinoline derivative, and preparation method and application thereof 湖南中医药大学 2024-06-21 CN disclosed
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US disclosed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO 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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 BACE1 719/4885HRH3 4039/4885MALT1 3459/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR BACE1 4621/4885HRH3 3324/4885MALT1 2722/4885

“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.