SCHEMBL19743952

SCHEMBL19743952

O=C(O)NCCOc1cccc(-n2cccn2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.49
ADRA1A P35348 1/20 0.49
LMNA P02545 2/20 0.41
CXCR4 P61073 1/20 0.40
KDM6B O15054 1/20 0.40
BRD4 O60885 1/20 0.40
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KLKB1 P03952 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL19743600 0.78 HTR1A (0.48) HTR1AADRA1ALMNASMN1; SMN2KLKB1
Hydrochloric Acid SCHEMBL19743620 0.77 HTR1A (0.42) HTR1AADRA1ALMNANPC1GLA
SCHEMBL6195082 0.76 NPC1 (0.40) HTR1AADRA1ANPC1GLARAB9A
SCHEMBL21383930 0.74 MTNR1A (0.44) HTR1AADRA1ALMNANPC1RAB9A
SCHEMBL16061881 0.73 HTR7 (0.51) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL19743601 0.73 HTR1A (0.43) HTR1AADRA1ANPC1RAB9ASMN1; SMN2
SCHEMBL27928906 0.72 LMNA (0.41) HTR1AADRA1ALMNANPC1GLA
SCHEMBL1953722 0.71 MTNR1A (0.46) HTR1AADRA1ANPC1RAB9ASMN1; SMN2
SCHEMBL19743711 0.70 HTR1A (0.44) HTR1AADRA1ALMNASMN1; SMN2KDM4E
SCHEMBL24921154 0.70 KDM4E (0.46) NPC1GLARAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 HTR1A 2/4885ADRA1A 18/4885LMNA 4173/4885
US-20190194132-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS HTR5A, HTR1A, HTR1E HTR1A 2/4885ADRA1A 18/4885LMNA 4173/4885

“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.