SCHEMBL19743626

SCHEMBL19743626

NCCOc1cccc(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
LOXL2 Q9Y4K0 4/20 0.40
LOX P28300 1/20 0.40
RXRA P19793 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1A P08908 1/20 0.39
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRM5 P41594 1/20 0.36
TIPARP Q7Z3E1 1/20 0.36
HTR7 P34969 2/20 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
SCHEMBL9256967 0.79 P2RX7 (0.39) P2RX7RXRAHTR1AGRIN1GRIN2B
SCHEMBL31608506 0.79 GRM5 (0.50) P2RX7RXRAKDM4EGRIN1GRIN2B
SCHEMBL13064185 0.79 GRM5 (0.50) P2RX7RXRAKDM4EGRIN1GRIN2B
SCHEMBL13278266 0.76 NUDT1 (0.47) P2RX7RXRAGRIN1GRIN2BGRM5
Hydrochloric Acid SCHEMBL19743607 0.75 KDM4E (0.44) HTR1BHTR1ATAAR1KDM4EHTR7
SCHEMBL5560493 0.75 POLB (0.38) P2RX7RXRAGRIN1GRIN2BGRM5
SCHEMBL19534932 0.74 P2RX7 (0.41) P2RX7LOXL2LOXALOX5APFEN1
SCHEMBL22397018 0.73 KMT2A (0.46) P2RX7LOXL2KDM4E
SCHEMBL32682038 0.73 KMT2A (0.46) P2RX7LOXL2KDM4E
SCHEMBL13822632 0.73 HTR1B (0.42) HTR1BHTR1ATAAR1KDM4EHTR7

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-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-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 P2RX7 225/4885LOXL2 4438/4885LOX 3962/4885
US-20190194132-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS HTR5A, HTR1A, HTR1E P2RX7 225/4885LOXL2 4438/4885LOX 3962/4885

“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.