SCHEMBL4173336

SCHEMBL4173336

c1ccc(CNC2CCCC(NCc3ccccc3)CCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.69
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
RAB9A P51151 1/20 0.63
BCHE P06276 3/20 0.62
ACHE P22303 3/20 0.62
BACE1 P56817 3/20 0.62
HRH3 Q9Y5N1 1/20 0.62
POLB P06746 1/20 0.58
FABP6 P51161 1/20 0.58
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
PKM P14618 1/20 0.56
OPRM1 P35372 2/20 0.56
OPRL1 P41146 2/20 0.56
CARM1 Q86X55 1/20 0.54
PRMT6 Q96LA8 1/20 0.54
FYN P06241 1/20 0.53

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
SCHEMBL2954218 1.00 GRIN2B (0.69) GRIN2BMEN1KMT2ARAB9ABCHE
Bromide SCHEMBL11703466 0.98 GRIN2B (0.67) GRIN2BMEN1KMT2ARAB9ABCHE
Hydrochloric Acid SCHEMBL30509625 0.98 GRIN2B (0.67) GRIN2BMEN1KMT2ARAB9ABCHE
SCHEMBL433970 0.96 GRIN2B (0.69) GRIN2BMEN1KMT2ARAB9ABCHE
SCHEMBL24574127 0.94 HRH3 (0.71) GRIN2BMEN1KMT2ARAB9ABCHE
SCHEMBL1847296 0.94 HRH3 (0.71) GRIN2BMEN1KMT2ARAB9ABCHE
Hydrochloric Acid SCHEMBL11785266 0.94 GRIN2B (0.67) GRIN2BMEN1KMT2ARAB9ABCHE
SCHEMBL10789534 0.94 HRH3 (0.71) GRIN2BMEN1KMT2ARAB9ABCHE
SCHEMBL294763 0.94 HRH3 (0.71) GRIN2BMEN1KMT2ARAB9ABCHE
SCHEMBL13280563 0.92 GRIN2B (0.59) GRIN2BMEN1KMT2ARAB9ABCHE

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-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 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-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 GRIN2B 471/4885MEN1 662/4885KMT2A 3358/4885

“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.