SCHEMBL3972824

SCHEMBL3972824

COc1ccc2nc(N3CCN(CC4CC4)CC3)cc(C(F)(F)F)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EZH2 Q15910 2/20 0.45
HRH3 Q9Y5N1 1/20 0.43
MCHR1 Q99705 1/20 0.42
KDM2B Q8NHM5 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GRM2 Q14416 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39

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
Hydrochloric Acid SCHEMBL3975821 0.99 KDM4E (0.45) KDM4EALDH1A1HPGDNPC1GLA
SCHEMBL13135654 0.83 EZH2 (0.55) KDM4EALDH1A1HPGDNPC1GLA
SCHEMBL2848141 0.80 NCF1 (0.52) KDM4EALDH1A1HPGDNPC1GLA
SCHEMBL3976099 0.79 HRH3 (0.68) HRH3KDM2BHTR2AHTR2C
Hydrochloric Acid SCHEMBL3970713 0.78 HRH3 (0.67) HRH3KDM2BHTR2AHTR2C
SCHEMBL3972820 0.71 HRH3 (0.47) KDM4EALDH1A1HPGDNPC1GLA
SCHEMBL1161734 0.69 POLB (0.57) KDM4EALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL6229712 0.68 ALDH1A1 (0.61) KDM4EALDH1A1HPGDNPC1GLA
SCHEMBL6652546 0.68 ABCC8 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL2852804 0.68 ABCC8 (0.47) KDM4EALDH1A1SMN1; SMN2MAPTNPSR1

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 6 patents. 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
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 WO 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 (2 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 KDM4E 1574/4885ALDH1A1 2719/4885HPGD 870/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 KDM4E 1574/4885ALDH1A1 2719/4885HPGD 870/4885

“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.