SCHEMBL445737

SCHEMBL445737

Cn1cnc(-c2ccc(OCC3CCN(C4CCCCC4)CC3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.48
HRH3 Q9Y5N1 10/20 0.43
CYP2D6 P10635 2/20 0.42
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
KDM5A P29375 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
GRM2 Q14416 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL1376274 0.78 HRH3 (0.71) HRH3
SCHEMBL1372974 0.76 HRH3 (0.71) HRH3
SCHEMBL1373180 0.70 HRH3 (0.59) HRH3
Hydrochloric Acid SCHEMBL1374616 0.70 HRH3 (0.58) HRH3
Hydrochloric Acid SCHEMBL31570811 0.69 NPC1 (0.48) NPC1RAB9A
SCHEMBL12427182 0.67 NPC1 (0.49) TLR9TLR7NPC1RAB9A
Hydrochloric Acid SCHEMBL30937911 0.67 CYP19A1 (0.59) HRH3CYP2D6NPC1RAB9A
SCHEMBL1373931 0.66 HRH3 (0.58) CXCR1HRH3
Hydrochloric Acid SCHEMBL30939711 0.66 NPC1 (0.47) NPC1RAB9A
SCHEMBL3085585 0.65 HPGD (0.46) HRH3GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 CXCR1 2247/4885HRH3 95/4885CYP2D6 244/4885

“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.