SCHEMBL19732845

SCHEMBL19732845

Cc1cnc(OCCN)nc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
AURKB Q96GD4 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RXRA P19793 12/20 0.36
GRIN1 Q05586 12/20 0.36
GRIN2B Q13224 12/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
HRH1 P35367 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
LTA4H P09960 1/20 0.32
PLA2G2A P14555 1/20 0.32

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
SCHEMBL15677660 0.79 RXRA (0.37) RXRAGRIN1GRIN2BSMN1; SMN2LTA4H
SCHEMBL18202620 0.79 TAAR1 (0.48) TAAR1KDM4ERXRAGRIN1GRIN2B
SCHEMBL31446630 0.77 TAAR1 (0.37) SYKAURKBTAAR1KDM4ERXRA
Ammonia Solution, Strong SCHEMBL18985316 0.77 RXRA (0.36) RXRAGRIN1GRIN2BSMN1; SMN2LTA4H
SCHEMBL15427262 0.77 CYP2D6 (0.39) KDM4ERXRAGRIN1GRIN2BSMN1; SMN2
SCHEMBL20163348 0.77 TAAR1 (0.37) SYKAURKBTAAR1KDM4ELTA4H
SCHEMBL13819916 0.74 IDO1 (0.36) RXRAGRIN1GRIN2B
SCHEMBL10203007 0.74 ACACB (0.42) RXRAGRIN1GRIN2BSMN1; SMN2NOS3
SCHEMBL5859016 0.73 TAAR1 (0.46) TAAR1KDM4ESMN1; SMN2HRH1LTA4H
SCHEMBL882458 0.73 RXRA (0.39) KDM4ERXRAGRIN1GRIN2B

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 9 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
WO-2018098305-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-31 WO 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-3260452-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS Neurolixis (FR) 2017-12-27 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-10562853-B2 Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-HT1A receptors HTR5A, HTR1A, HTR1E SYK 3771/4885AURKB 3407/4885TAAR1 110/4885
US-20190194132-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS HTR5A, HTR1A, HTR1E SYK 3771/4885AURKB 3407/4885TAAR1 110/4885

“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.