SCHEMBL3977542

SCHEMBL3977542

O=C(c1ccccc1)c1cc(F)c(N2CCN(C3CCCC3)CC2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.49
KDM2B Q8NHM5 1/20 0.46
NPC1 O15118 3/20 0.44
HPGD P15428 3/20 0.44
ALOX15 P16050 3/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
HRH3 Q9Y5N1 4/20 0.43
KCNH2 Q12809 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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 SCHEMBL3974709 0.99 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBHTTKDM2B
SCHEMBL13648855 0.95 HRH3 (0.47) ALDH1A1KDM4EPOLBHTTKDM2B
Hydrochloric Acid SCHEMBL3970779 0.94 HRH3 (0.46) ALDH1A1KDM4EPOLBHTTKDM2B
SCHEMBL5236780 0.90 HDAC1 (0.44) ALDH1A1KDM4EPOLBHTTKDM2B
SCHEMBL5236786 0.90 HDAC1 (0.44) ALDH1A1KDM4EPOLBHTTKDM2B
SCHEMBL5655252 0.82 HTR6 (0.42) ALDH1A1KDM4EPOLBHTTKDM2B
SCHEMBL3969715 0.79 NPC1 (0.43) ALDH1A1KDM4EPOLBKDM2BNPC1
SCHEMBL3978117 0.78 HPGD (0.43) ALDH1A1KDM4EPOLBNPC1HPGD
SCHEMBL27620727 0.77 KMT2A (0.41) ALDH1A1KDM4EPOLBHTTNPC1
SCHEMBL3977154 0.75 HRH3 (0.55) ALDH1A1KDM4EPOLBHTTNPC1

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 ALDH1A1 2719/4885KDM4E 1574/4885POLB 4110/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 ALDH1A1 2719/4885KDM4E 1574/4885POLB 4110/4885

“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.