SCHEMBL267764

SCHEMBL267764

N[C@@H](CCCN1CCCCC1)C(=O)NCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.48
NPC1 O15118 1/20 0.48
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
RAB9A P51151 1/20 0.47
DPP7 Q9UHL4 1/20 0.45
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL23514417 0.83 CA12 (0.49) RAD52NPC1CA12CA1CA2
SCHEMBL23514413 0.83 CA12 (0.49) RAD52NPC1CA12CA1CA2
SCHEMBL23514416 0.81 RAB9A (0.49) RAD52NPC1CA12CA1CA2
SCHEMBL23514433 0.81 RAB9A (0.49) RAD52NPC1CA12CA1CA2
SCHEMBL17152580 0.80 NPC1 (0.47) NPC1CA12CA1CA2CA9
SCHEMBL266522 0.80 CYP1A2 (0.55) DPP7TSHRALDH1A1CYP1A2MAPK1
SCHEMBL7166332 0.80 CYP1A2 (0.55) DPP7TSHRALDH1A1CYP1A2MAPK1
SCHEMBL23099381 0.80 CYP1A2 (0.55) DPP7TSHRALDH1A1CYP1A2MAPK1
SCHEMBL4166662 0.79 KIF11 (0.42) RAD52NPC1CA12CA1CA2
SCHEMBL30392344 0.79 CA12 (0.51) RAD52NPC1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133864-B2 PAR-2 agonist KOWA COMPANY, LTD. (JP) 2012-03-13 US disclosed
EP-1864994-B1 PAR-2 AGONIST KOWA CO (JP) 2011-10-26 EP disclosed
US-20090215703-A1 PAR-2 Agonist KOWA COMPANY, LTD. (JP) 2009-08-27 US disclosed
EP-1864994-A1 PAR-2 AGONIST Kowa Company, Ltd. (JP) 2007-12-12 EP 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-20090215703-A1 PAR-2 Agonist FPR2, F2RL1, FPR3 RAD52 3246/4885NPC1 1910/4885CA12 3527/4885

“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.