SCHEMBL4290403

SCHEMBL4290403

CN1CCCN(c2cccc(C(=O)N3CC[C@@H](Oc4ccccc4F)C3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.44
HSD17B14 Q9BPX1 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EZH2 Q15910 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
ACACB O00763 1/20 0.39
RBP4 P02753 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
GPR6 P46095 1/20 0.37
DGAT2 Q96PD7 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
SCHEMBL4290422 1.00 PRKCQ (0.44) PRKCQHSD17B14KMT2AUSP2MAPK1
Hydrochloric Acid SCHEMBL4304166 0.99 PRKCQ (0.43) PRKCQHSD17B14KMT2AUSP2MAPK1
Hydrochloric Acid SCHEMBL4304161 0.99 PRKCQ (0.43) PRKCQHSD17B14KMT2AUSP2MAPK1
SCHEMBL3467785 0.90 PRKCQ (0.44) PRKCQHSD17B14KMT2AEZH2HRH3
SCHEMBL3467781 0.90 PRKCQ (0.44) PRKCQHSD17B14KMT2AEZH2HRH3
SCHEMBL4300819 0.89 PRKCQ (0.44) PRKCQKMT2AEZH2HRH3
Hydrochloric Acid SCHEMBL3469592 0.89 PRKCQ (0.44) PRKCQHSD17B14KMT2AEZH2HRH3
SCHEMBL4300814 0.89 PRKCQ (0.44) PRKCQKMT2AEZH2HRH3
Hydrochloric Acid SCHEMBL3469593 0.89 PRKCQ (0.44) PRKCQHSD17B14KMT2AEZH2HRH3
SCHEMBL4296437 0.87 CKS1B (0.47) KMT2AUSP2MAPK1SMN1; SMN2HRH3

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 PRKCQ 2560/4885HSD17B14 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.