SCHEMBL7601522

SCHEMBL7601522

N#Cc1ccc(N2CCNC(F)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
HRH3 Q9Y5N1 8/20 0.42
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
DPP4 P27487 2/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CHEK1 O14757 1/20 0.36
KCNH2 Q12809 1/20 0.36
PREP P48147 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
MLYCD O95822 1/20 0.35
MAPKAPK2 P49137 2/20 0.35

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
SCHEMBL2594613 0.82 KDM4E (0.49) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL2594614 0.82 KDM4E (0.49) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL6125344 0.82 KDM4E (0.49) KDM4ETP53HRH3CHRNA10CHRNA9
Hydrochloric Acid SCHEMBL709248 0.81 KDM4E (0.47) KDM4ETP53HRH3CHRNA10CHRNA9
Hydrochloric Acid SCHEMBL709249 0.81 KDM4E (0.47) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL4423739 0.80 ADRB1 (0.52) KDM4EKCNH2
SCHEMBL16567891 0.78 KDM4E (0.56) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL14741020 0.78 KDM4E (0.56) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL20346556 0.74 KDM4E (0.65) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL6503007 0.74 ALDH1A1 (0.60) KDM4E

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-6372762-B1 HETEROCYCLIC COMPOUNDS FOR NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-04-16 US disclosed
US-20020019401-A1 Substituted bicyclic derivatives for treating central nervous system disorders FLIRI ANTON FRANZ JOSEPH (US) 2002-02-14 US disclosed
EP-0953567-A2 Bicyclic substituted piperazine-, piperidine- and tetrahydropyridine derivatives, their preparation and their use as agents with central dopaminergic (dopamine D4 receptor) activity Pfizer Products Inc. (US) 1999-11-03 EP 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-20020019401-A1 Substituted bicyclic derivatives for treating central nervous system disorders OPRK1, OPRD1, MC2R KDM4E 1783/4885TP53 4835/4885HRH3 273/4885

“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.