SCHEMBL3972820

SCHEMBL3972820

COc1ccc2nc(N3CCN(C4CC4)CC3C)cc(C(F)(F)F)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.38
CCR4 P51679 1/20 0.38
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
KIT P10721 1/20 0.36
EZH2 Q15910 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CALCRL Q16602 1/20 0.35
LRRK2 Q5S007 1/20 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
SCHEMBL3976097 0.80 HRH3 (0.69) HRH3KDM4EALDH1A1
SCHEMBL13135654 0.73 EZH2 (0.55) KDM4EALDH1A1NPC1GLAGAA
SCHEMBL2848141 0.72 NCF1 (0.52) KDM4EALDH1A1NPC1GLAGAA
SCHEMBL3972824 0.71 KDM4E (0.46) HRH3KDM4EALDH1A1NPC1GLA
Hydrochloric Acid SCHEMBL3975821 0.71 KDM4E (0.45) HRH3KDM4EALDH1A1NPC1GLA
SCHEMBL1161734 0.68 POLB (0.57) KDM4EALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL17310130 0.67 ALK (0.43) HRH3ADRA1A
SCHEMBL27602123 0.67 HRH3 (0.36) HRH3
SCHEMBL6652546 0.67 ABCC8 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL2852804 0.67 ABCC8 (0.47) KDM4EALDH1A1SMN1; SMN2NPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 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-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 HRH3 1/4885KDM4E 1574/4885ALDH1A1 2719/4885

“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.