SCHEMBL19743630

SCHEMBL19743630

CNc1cccc(OCCN)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.54
ROCK2 O75116 1/20 0.54
PRKACA P17612 1/20 0.54
PRKCD Q05655 1/20 0.54
ROCK1 Q13464 1/20 0.54
DYRK1A Q13627 1/20 0.54
CDC42BPA Q5VT25 1/20 0.54
TAAR1 Q96RJ0 1/20 0.52
LTA4H P09960 2/20 0.46
PLA2G2A P14555 1/20 0.46
PLAU P00749 2/20 0.44
BRAF P15056 1/20 0.43
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL5609143 0.84 APP (0.55) APPKDM4ETHRBMAPK1TSHR
SCHEMBL1545732 0.82 APP (0.54) APPKDM4ETHRBMAPK1TSHR
SCHEMBL8310702 0.82 APP (0.54) APPKDM4ETHRBMAPK1TSHR
SCHEMBL8307378 0.82 APP (0.54) APPKDM4ETHRBMAPK1TSHR
SCHEMBL13169873 0.82 THRB (0.60) APPLTA4HTHRBTSHR
SCHEMBL9107098 0.80 TAAR1 (0.70) ROCK2PRKACAPRKCDROCK1DYRK1A
SCHEMBL8306841 0.79 APP (0.58) APPPLAUMAPK1SYK
SCHEMBL24955606 0.79 CHRNB2 (0.61) APPLTA4HKDM4E
SCHEMBL28203171 0.79 TSHR (0.61) APPLTA4HTHRBTSHR
SCHEMBL27342972 0.79 TSHR (0.61) APPLTA4HTHRBTSHR

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 8 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
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
CN-109563073-A For the treatment of para-5-HT1AReceptor-controlled serotonergic disease-modulating compounds 诺罗利西斯公司 2019-04-02 CN 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

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-10562853-B2 Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-HT1A receptors HTR5A, HTR1A, HTR1E APP 2882/4885ROCK2 1073/4885PRKACA 560/4885
US-20190194132-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS HTR5A, HTR1A, HTR1E APP 2882/4885ROCK2 1073/4885PRKACA 560/4885

“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.