SCHEMBL12061981

SCHEMBL12061981

C=C(CC)NCCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.37
RNPEP Q9H4A4 2/20 0.37
DNPEP Q9ULA0 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
ALOX12 P18054 2/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL18723024 0.86 MEN1 (0.33) LMNAMEN1KMT2A
SCHEMBL24673609 0.85 MEN1 (0.37) LMNAMEN1KMT2AMMP8
SCHEMBL23451083 0.83 EPHX1 (0.38) LMNAMEN1KMT2AMMP8KDM4E
SCHEMBL20118026 0.82 CNR1 (0.38) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL23944946 0.81 ANPEP (0.37) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL21985062 0.79 ANPEP (0.36) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL21985204 0.79 ANPEP (0.40) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL20328332 0.79
SCHEMBL23559929 0.77 MAPT (0.36) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL21985202 0.76 ANPEP (0.34) ANPEPRNPEPDNPEPALDH1A1CYP1A2

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-20120219594-A1 Benzimidazole-imidazole Derivatives JANSSEN SCIENCES IRELAND UC (IE) 2012-08-30 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-20120219594-A1 Benzimidazole-imidazole Derivatives HAVCR2, CBR3, ZC3HAV1 ANPEP 3361/4885RNPEP 2334/4885DNPEP 3916/4885

“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.