SCHEMBL6357432

SCHEMBL6357432

O=[N+]([O-])c1cccnc1NCC1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.58
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
PRKCQ Q04759 7/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40

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
SCHEMBL6349064 0.84 BDKRB1 (0.63) BDKRB1NPC1RAB9AMAPTLMNA
SCHEMBL927386 0.83 NPC1 (0.57) NPC1RAB9AMAPTLMNAPKM
Acetic Acid SCHEMBL29111011 0.82 LMNA (0.54) NPC1RAB9AMAPTLMNAPKM
SCHEMBL13834543 0.74 NPC1 (0.49) NPC1RAB9AMAPTLMNAPKM
SCHEMBL6357667 0.74 BDKRB1 (1.00) BDKRB1
Hydrochloric Acid SCHEMBL13834986 0.73 NPC1 (0.48) NPC1RAB9AMAPTLMNAPKM
SCHEMBL5350707 0.73 KDM4E (0.54) NPC1RAB9AMAPTLMNAPKM
SCHEMBL4145574 0.73 PKM (0.54) NPC1RAB9AMAPTLMNAPKM
SCHEMBL5758848 0.72 F10 (0.53) NPC1RAB9AMAPTLMNAPKM
SCHEMBL30662716 0.72 PKM (0.53) NPC1RAB9AMAPTLMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261327-A1 2-(Bicyclo)alkylamino-derivatives as mediatores of chronic pain and inflammation MERCK & CO., INC. 2005-11-24 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-20050261327-A1 2-(Bicyclo)alkylamino-derivatives as mediatores of chronic pain and inflammation BDKRB1, BDKRB2, LTB4R2 BDKRB1 1/4885NPC1 2454/4885RAB9A 3009/4885

“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.