SCHEMBL4294490

SCHEMBL4294490

CN1CCN(c2cccc(C(=O)N3CCCC[C@H]3c3ccccc3F)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 2/20 0.48
ROCK2 O75116 2/20 0.45
SCD O00767 1/20 0.45
SCD5 Q86SK9 1/20 0.45
HSD11B1 P28845 1/20 0.43
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A9 P48067 8/20 0.42
PRKCQ Q04759 1/20 0.41
RIPK1 Q13546 3/20 0.41
KMT2A Q03164 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
SCHEMBL4295319 1.00 HSD17B14 (0.48) HSD17B14ROCK2SCDSCD5HSD11B1
SCHEMBL4294496 1.00 HSD17B14 (0.48) HSD17B14ROCK2SCDSCD5HSD11B1
SCHEMBL4299801 0.97 PRKCQ (0.46) HSD17B14ROCK2SCDSCD5HSD11B1
SCHEMBL4299796 0.97 PRKCQ (0.46) HSD17B14ROCK2SCDSCD5HSD11B1
SCHEMBL4299325 0.89 HSP90AA1 (0.47) HSD17B14HSD11B1PRKCQ
SCHEMBL4304799 0.89 HSP90AA1 (0.47) HSD17B14HSD11B1PRKCQ
SCHEMBL4299319 0.89 HSP90AA1 (0.47) HSD17B14HSD11B1PRKCQ
SCHEMBL13755707 0.88 HSD17B14 (0.43) HSD17B14ROCK2SCDSCD5HSD11B1
SCHEMBL4295295 0.85 PRKCA (0.46) HSD17B14ROCK2SCDSCD5HSD11B1
SCHEMBL4301810 0.85 HSD17B14 (0.46) HSD17B14ROCK2SCD5HSD11B1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009098576-A1 PYRIDINYL AMIDES FOR THE TREATMENT OF CNS AND METABOLIC DISORDERS PFIZER INC. (US) 2009-08-13 WO 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
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 HSD17B14 2214/4885ROCK2 2849/4885SCD 2378/4885

“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.