SCHEMBL4937775

SCHEMBL4937775

O=C(NC1CCNCC1)c1ccc(CCn2cnc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 1/20 0.51
KHK P50053 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.44
ACSS2 Q9NR19 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
SMYD3 Q9H7B4 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD4 P21917 1/20 0.41
HTR4 Q13639 1/20 0.41
HRH3 Q9Y5N1 4/20 0.41
IDO1 P14902 1/20 0.41

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
Tert-Butyl Formate SCHEMBL27786473 0.81 HDAC1 (0.53) HTTHDAC1HDAC6KHKACSS2
SCHEMBL9302839 0.79 HDAC1 (0.67) HTTHDAC1HDAC6LMNASMN1; SMN2
SCHEMBL4937782 0.79 LMNA (0.54) HTTHDAC1HDAC6LMNASMN1; SMN2
SCHEMBL8739201 0.73 HDAC1 (0.61) HTTHDAC1HDAC6LMNASMN1; SMN2
SCHEMBL31666070 0.72 ASAH1 (0.50) HTTLMNATSHRSMN1; SMN2HTR4
SCHEMBL11313566 0.71 HTT (0.77) HTTEGLN3LMNATSHRNPSR1
SCHEMBL3725969 0.71 HDAC1 (0.55) HDAC1HDAC6LMNAHRH3
SCHEMBL594567 0.70 NPC1 (0.62) HDAC1HDAC6KHKSMYD3NPSR1
SCHEMBL784573 0.70 HTT (1.00) HTTEGLN3LMNATSHRNPSR1
SCHEMBL9303119 0.70 FAAH (0.60) HDAC1HDAC6LMNAHRH3IDO1

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-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 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-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 HTT 867/4885HDAC1 482/4885HDAC6 425/4885

“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.