SCHEMBL15832149

SCHEMBL15832149

C=C(NCC(=C)N(C)CC1CCCC1)NCc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.41
▸ PPIB P23284 7/20 0.36
▸ PPID Q08752 9/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGAV P06756 1/20 0.34
▸ ITGA5 P08648 1/20 0.34
▸ PPIG Q13427 5/20 0.34
▸ ACHE P22303 1/20 0.34
▸ PPIA P62937 1/20 0.33

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
SCHEMBL15832176 0.79 EPHX1 (0.46) EPHX1PPIBPPIDRAB9APOLB
SCHEMBL15832160 0.75 PPIB (0.44) PPIBPPIDPOLBPPIG
SCHEMBL15832187 0.69 PPID (0.42) EPHX1PPIBPPIDRAB9ASMN1; SMN2
SCHEMBL19882160 0.68 HDAC6 (0.45) EPHX1PPIDRAB9APOLBSMN1; SMN2
SCHEMBL15832178 0.66 PPIB (0.77) PPIBPPIDSMN1; SMN2PPIGPPIA
SCHEMBL15832143 0.65 PPID (0.47) EPHX1PPIBPPIDPOLBITGB3
SCHEMBL5946809 0.65 PDK1 (0.44) —
SCHEMBL3085761 0.64 HDAC6 (0.60) EPHX1RAB9APOLBSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL3857669 0.63 HDAC6 (0.59) EPHX1RAB9APOLBSMN1; SMN2NPC1
SCHEMBL14619100 0.63 PPIB (0.43) EPHX1PPIBPPIDITGB1ITGA5

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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-06-26 — — 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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof FKBP3, FKBP4, FKBP5 EPHX1 645/4885PPIB 51/4885PPID 73/4885

“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.

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