SCHEMBL14733322

SCHEMBL14733322

COc1ccc(N2CCN(C(C)(C)C)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 2/20 0.49
HDAC1 Q13547 1/20 0.47
POLB P06746 2/20 0.45
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
PKM P14618 2/20 0.43
MGLL Q99685 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL14733325 0.81 DRD2 (0.48) RAB9ANPC1PKMMGLLMEN1
SCHEMBL13141237 0.80 DRD2 (0.50) NOX4HDAC1RAB9ANPC1MEN1
SCHEMBL14733324 0.80 DRD2 (0.47) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL13762123 0.80 MEN1 (0.64) HDAC1RAB9ANPC1MEN1KMT2A
SCHEMBL12427204 0.78 NOX4 (0.49) NOX4HDAC1POLBRAB9ANPC1
SCHEMBL12444461 0.78 HTR2C (0.40) MEN1KMT2AL3MBTL1MAPT
SCHEMBL18937412 0.74 NOX4 (0.46) NOX4HDAC1POLBRAB9ANPC1
SCHEMBL14734293 0.74 HDAC1 (0.56) NOX4HDAC1POLBRAB9ANPC1
SCHEMBL24702160 0.74 POLB (0.49) NOX4POLBRAB9ANPC1PKM
SCHEMBL10556235 0.73 KMT2A (0.53) POLBRAB9ANPC1MEN1KMT2A

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-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A NOX4 3898/4885HDAC1 2448/4885POLB 3476/4885

“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.