SCHEMBL2401936

SCHEMBL2401936

O=C(O)N1CCN(c2ncc(-c3cccs3)c3ncnn23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 8/20 0.38
LMNA P02545 5/20 0.38
HPGD P15428 5/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
ALOX15 P16050 1/20 0.38
KDR P35968 1/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
ESR2 Q92731 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
SCHEMBL2403073 0.85 MET (0.46) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL2404780 0.85 GBA1 (0.49) KDM4EKDRPOLBGBA1
SCHEMBL2401844 0.84 LMNA (0.37) HTTNPSR1MEN1KMT2ANPC1
SCHEMBL2401935 0.82 ADRB1 (0.45) MEN1KMT2ANPC1RAB9ARXFP1
Hydrochloric Acid SCHEMBL2402650 0.81 ADRB1 (0.44) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL2404719 0.75 HRH4 (0.34) RAB9AALDH1A1LMNAMAPTKDR
SCHEMBL2402203 0.70 GBA1 (0.49) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL9210120 0.68 MEN1 (0.47) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL2400859 0.68 HRH4 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2400813 0.68 MET (0.46) HTTMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2545058-B1 TETRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS INHIBITORS OF HISTAMINE RECEPTORS KALYPSYS INC (US) 2016-08-24 EP disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
EP-2545058-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2013-01-16 EP disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
WO-2011112766-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 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 (1 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-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HTT 172/4885NPSR1 83/4885MEN1 1013/4885

“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.