SCHEMBL4675168

SCHEMBL4675168

O=C(Nc1ccc(Cl)cc1)N1CC[N]CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
TRPV1 Q8NER1 3/20 0.61
GAA P10253 2/20 0.61
MAPK1 P28482 1/20 0.61
ALOX5 P09917 1/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
CA12 O43570 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
TAS1R2 Q8TE23 1/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
FAAH O00519 1/20 0.54
MAPT P10636 3/20 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
SCHEMBL2089614 0.94 LMNA (0.56) LMNATRPV1GAAMAPK1ALOX5
SCHEMBL27979652 0.88 CA12 (0.71) LMNATRPV1GAAMAPK1ALOX5
SCHEMBL10596224 0.84 MAPT (0.69) LMNAALOX5NPC1RAB9ATDP1
SCHEMBL5431902 0.83 NPC1 (0.71) LMNAGAANPC1RAB9ATDP1
SCHEMBL3723811 0.83 CYP2C9 (0.65) GAAMAPK1NPC1RAB9AMEN1
SCHEMBL13234925 0.83 RAB9A (0.70) LMNAALOX5NPC1RAB9ATDP1
SCHEMBL20237000 0.81 CA12 (0.64) LMNATRPV1GAAMAPK1ALOX5
SCHEMBL4675018 0.81 POLB (0.59) TRPV1GAANPC1RAB9ACA12
SCHEMBL20236338 0.80 ALOX5 (0.60) LMNATRPV1GAAMAPK1ALOX5
SCHEMBL654537 0.80 POLB (0.69) LMNATRPV1GAAMAPK1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US claimed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 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-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 LMNA 2633/4885TRPV1 3329/4885GAA 2578/4885

“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.