SCHEMBL4299819

SCHEMBL4299819

Cc1ccccc1C1=CCN(C(=O)c2cccc(N3CCN(C)CC3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR3E A5X5Y0 3/20 0.41
HTR3B O95264 3/20 0.41
HTR3A P46098 3/20 0.41
HTR3D Q70Z44 3/20 0.41
HTR3C Q8WXA8 3/20 0.41
HSD17B14 Q9BPX1 1/20 0.41
CYP1A2 P05177 1/20 0.40
PRKCQ Q04759 1/20 0.40
TACR1 P25103 2/20 0.39
NAMPT P43490 2/20 0.39
JAK1 P23458 2/20 0.38
HTR2C P28335 1/20 0.37

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
Hydrochloric Acid SCHEMBL4297572 0.89 HSD17B14 (0.48) ALDH1A1SMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL3469632 0.89 HSD17B14 (0.48) ALDH1A1SMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL4300878 0.74 PROKR1 (0.46) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3467254 0.72 HSD17B14 (0.44) ALDH1A1SMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL22324761 0.72 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NAMPT
Hydrochloric Acid SCHEMBL4297856 0.71 HSD17B14 (0.48) ALDH1A1SMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL3436388 0.71 PDK4 (0.44) ALDH1A1SMN1; SMN2NAMPT
Hydrochloric Acid SCHEMBL3466386 0.71 HTR3A (0.57) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3466177 0.70 HSD17B14 (0.49) ALDH1A1SMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL4290842 0.69 HSD17B14 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C

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-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 US disclosed
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 US disclosed
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 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-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders HTR6, HTR5A, TPH1 ALDH1A1 1207/4885SMN1; SMN2 2107/4885HTR3E 26/4885

“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.