SCHEMBL3497157

SCHEMBL3497157

C[C@H]1CCCN1C(=O)c1coc(-c2ccc(Cn3ncc4ccc(F)cc43)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.40
BRD4 O60885 2/20 0.39
CDK9 P50750 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SCD5 Q86SK9 2/20 0.37
TP53 P04637 2/20 0.37
GAA P10253 1/20 0.37
PDE4D Q08499 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL3498749 0.81 BRD4 (0.39) BRD4CDK9ALDH1A1HPGD
SCHEMBL3496267 0.81 BRD4 (0.39) BRD4CDK9ALDH1A1HPGD
SCHEMBL3497206 0.78 SCD5 (0.44) PDE4BNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3496201 0.78 SCD5 (0.44) PDE4BNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3497993 0.75 HRH3 (0.39) ALDH1A1HPGD
SCHEMBL3498759 0.75 HRH3 (0.39) ALDH1A1HPGD
SCHEMBL3495316 0.74 DRD2 (0.47) BRD4NPC1RAB9AHPGD
SCHEMBL3496117 0.72 RECQL (0.46) PDE4BNPC1RAB9AALDH1A1PDE4D
SCHEMBL6396862 0.70 KMT2A (0.48) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL6393223 0.69 ADAM17 (0.41) NPC1ALDH1A1LMNAHPGDHTT

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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US claimed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 PDE4B 1489/4885BRD4 1166/4885CDK9 3315/4885

“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.