SCHEMBL5859072

SCHEMBL5859072

Cc1cccc(OCCN)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.44
GABRA5 P31644 1/20 0.42
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
HTR1B P28222 1/20 0.42
HSD17B3 P37058 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
KDM1A O60341 1/20 0.40
RXRA P19793 4/20 0.37
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 0.37
P2RX7 Q99572 1/20 0.37
LTA4H P09960 1/20 0.36
PLA2G2A P14555 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35
CXCR4 P61073 1/20 0.35

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
SCHEMBL12092893 0.85 GABRA5 (0.42) HTR7GABRA5NOS3NOS2HSD17B3
SCHEMBL15629190 0.84 NOS3 (0.45) HTR7GABRA5NOS3NOS2HSD17B3
SCHEMBL12093742 0.82 GRM5 (0.48) HTR7GABRA5NOS3NOS2HSD17B3
SCHEMBL8352809 0.81 TAAR1 (0.45) HTR7HTR1BTAAR1KDM4EKDM1A
SCHEMBL12092900 0.81 TSHR (0.46) HTR7GABRA5NOS3NOS2HSD17B3
SCHEMBL9440370 0.81 LMNA (0.48) HTR7GABRA5HSD17B3CCR1CCR8
SCHEMBL10842869 0.81 KMT2A (0.51) HTR7GABRA5NOS3NOS2HSD17B3
SCHEMBL22809538 0.80 SMN1; SMN2 (0.42) TAAR1KDM4ERXRAGRIN1GRIN2B
SCHEMBL5218004 0.79 HSD17B3 (0.43) HTR7GABRA5NOS3NOS2HSD17B3
SCHEMBL8234821 0.79 GABRA5 (0.41) HTR7GABRA5NOS3NOS2HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563073-B For the treatment of para-5-HT1AReceptor-controlled serotonergic disease-modulating compounds 诺罗利西斯公司 2021-12-07 CN disclosed
EP-3475268-B9 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2021-04-21 EP disclosed
WO-2020198379-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. (US) 2020-10-01 WO disclosed
EP-3475268-B1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2020-08-19 EP disclosed
US-10562853-B2 Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-HT1A receptors NEUROLIXIS (FR) 2020-02-18 US disclosed
US-20190194132-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2019-06-27 US disclosed
EP-3475268-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS Neurolixis (FR) 2019-05-01 EP disclosed
US-20180273476-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS MERCK PATENT GMBH (DE) 2018-09-27 US disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
WO-2017220799-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2017-12-28 WO disclosed
EP-2709985-B1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS LTD (AU) 2017-10-04 EP disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
EP-2524912-A1 Amine derivatives Bionomics Limited (AU) 2012-11-21 EP disclosed
US-7015225-B1 Anti-cancer agents and methods CHEN LARRY 2006-03-21 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 HTR7 1392/4885GABRA5 347/4885NOS3 244/4885
US-20180273476-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 HTR7 1392/4885GABRA5 347/4885NOS3 244/4885
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 HTR7 1392/4885GABRA5 347/4885NOS3 244/4885
US-10562853-B2 Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-HT1A receptors HTR5A, HTR1A, HTR1E HTR7 23/4885GABRA5 133/4885NOS3 3421/4885
US-20190194132-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS HTR5A, HTR1A, HTR1E HTR7 23/4885GABRA5 133/4885NOS3 3421/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 HTR7 1392/4885GABRA5 347/4885NOS3 244/4885

“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.