SCHEMBL13771998

SCHEMBL13771998

CCc1cncc(N2CCN(C)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.46
HTR3A P46098 5/20 0.46
HTR3E A5X5Y0 3/20 0.42
HTR3B O95264 3/20 0.42
HTR3D Q70Z44 3/20 0.42
HTR3C Q8WXA8 3/20 0.42
HRH3 Q9Y5N1 2/20 0.41
DRD2 P14416 1/20 0.40
HTR6 P50406 1/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL16366822 0.85 PDE10A (0.51) HRH4PDE10A
SCHEMBL11919280 0.81 HTR2C (0.60) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL15582906 0.81 KMT2A (0.42) PDE10A
SCHEMBL2640550 0.80 HRH4 (0.54) HRH4HTR3AHRH3
SCHEMBL2401439 0.78 HTR3A (0.58) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL14618026 0.77 HTR3A (0.62) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL12988898 0.77 HRH4 (0.37) HRH4HRH3PDE10A
SCHEMBL17525869 0.76 HTR3A (0.59) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL419964 0.76 HTR3A (0.47) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL3056725 0.76 KDM4E (0.64) HRH4HTR3AHTR3EHTR3BHTR3D

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-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 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-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA HRH4 2544/4885HTR3A 1933/4885HTR3E 2101/4885

“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.