SCHEMBL3976208

SCHEMBL3976208

CC(C)N1CCN(c2ccc(-c3ccc(C(F)(F)F)cc3)nn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
SCD O00767 4/20 0.48
CNR2 P34972 1/20 0.48
RAB9A P51151 4/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
THRB P10828 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HRH3 Q9Y5N1 4/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMO Q99835 1/20 0.41
OGA O60502 1/20 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
SCHEMBL1744169 0.95 LMNA (0.53) LMNASCDCNR2RAB9AMAPT
SCHEMBL13654324 0.86 LMNA (0.49) LMNASCDCNR2RAB9AMAPT
SCHEMBL13177706 0.84 LMNA (0.50) LMNASCDCNR2RAB9AMAPT
SCHEMBL13451195 0.83 SCD (0.46) LMNASCDRAB9AMAPTNPC1
SCHEMBL3150420 0.82 MAPT (0.50) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL1744869 0.82 KDM4E (0.54) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL3972252 0.82 MAPT (0.50) LMNACNR2RAB9AMAPTNPC1
SCHEMBL3184753 0.82 NPC1 (0.59) CNR2RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL1743052 0.81 HRH3 (0.47) MAPTSMN1; SMN2HRH3KDM4ESMO
SCHEMBL1742391 0.80 HRH3 (0.54) MAPTSMN1; SMN2HRH3KDM4ESMO

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 LMNA 4775/4885SCD 3788/4885CNR2 26/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 LMNA 4775/4885SCD 3788/4885CNR2 26/4885

“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.