SCHEMBL4301528

SCHEMBL4301528

CN1CCN(c2cccc(C(=O)N3CCCC(c4cccc(F)c4)C3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 5/20 0.53
HSD17B14 Q9BPX1 1/20 0.47
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 1/20 0.42
PROKR1 Q8TCW9 3/20 0.42
PDE2A O00408 1/20 0.42
SCD O00767 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
SCHEMBL4295123 0.92 HSD17B14 (0.50) SCD5HSD17B14SCD
SCHEMBL4301946 0.83 PROKR1 (0.51) HSD17B14KMT2AALDH1A1LMNARAB9A
SCHEMBL4303696 0.83 HRH3 (0.49) HSD17B14KMT2A
SCHEMBL4303705 0.83 HRH3 (0.49) HSD17B14KMT2A
SCHEMBL4293252 0.81 HRH3 (0.51) HSD17B14KMT2A
SCHEMBL4293254 0.81 HRH3 (0.51) HSD17B14KMT2A
SCHEMBL4290842 0.81 HSD17B14 (0.46) SCD5HSD17B14PROKR1SCD
SCHEMBL4298105 0.80 RIPK1 (0.51) SCD5HSD17B14LMNA
SCHEMBL4298114 0.80 RIPK1 (0.51) SCD5HSD17B14LMNA
SCHEMBL4304173 0.78 HSD17B14 (0.47) HSD17B14KMT2ARAB9APROKR1

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 SCD5 1916/4885HSD17B14 2214/4885KMT2A 1807/4885

“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.