SCHEMBL20066439

SCHEMBL20066439

CB(O)NCCCCNc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 12/20 0.74
MAPT P10636 4/20 0.57
PRSS1 P07477 4/20 0.56
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
CRHBP P24387 1/20 0.50
RAB9A P51151 1/20 0.50
CRHR2 Q13324 1/20 0.50

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
SCHEMBL20066440 0.89 PRSS1 (0.61) HCAR3MAPTPRSS1ALDH1A1NPC1
SCHEMBL6044024 0.85 HCAR3 (1.00) HCAR3MAPTPRSS1ALDH1A1NPC1
SCHEMBL6044600 0.84 HCAR3 (0.97) HCAR3MAPTPRSS1ALDH1A1NPC1
SCHEMBL11242963 0.84 HCAR3 (0.97) HCAR3MAPTPRSS1ALDH1A1NPC1
SCHEMBL11208444 0.84 HCAR3 (0.97) HCAR3MAPTPRSS1ALDH1A1NPC1
SCHEMBL6044176 0.84 HCAR3 (1.00) HCAR3MAPTPRSS1ALDH1A1NPC1
SCHEMBL3278681 0.82 HCAR3 (0.78) HCAR3MAPTPRSS1ALDH1A1
SCHEMBL2688335 0.81 HCAR3 (1.00) HCAR3MAPTALDH1A1NPC1PKM
SCHEMBL28183325 0.81 HCAR3 (0.86) HCAR3MAPTPRSS1ALDH1A1NPC1
SCHEMBL1066375 0.79 HCAR3 (0.77) HCAR3MAPTALDH1A1PKMRAB9A

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-20180105514-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 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-20180105514-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS RB1, RBBP5, RCC2 HCAR3 2609/4885MAPT 494/4885PRSS1 2304/4885

“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.