SCHEMBL3971672

SCHEMBL3971672

Cc1cc(Cl)nnc1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
ADORA2A P29274 1/20 0.46
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
PDK1 Q15118 3/20 0.40
CYP2C9 P11712 2/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HSD11B1 P28845 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
CNR1 P21554 2/20 0.37

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
SCHEMBL11004121 0.85 NPC1 (0.41) ADORA1ADORA2ACYP1A2CYP2C19PDK1
SCHEMBL1752868 0.84 PDE10A (0.47) ADORA1ADORA2APDK1KMT2AMEN1
SCHEMBL8834226 0.82 POLB (0.43) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL3023398 0.81 AHR (0.46) PDK1KMT2AMEN1NPC1RAB9A
SCHEMBL25250630 0.80 TRPV1 (0.43) CYP1A2PDK1HPGDHSD17B10LMNA
SCHEMBL11006195 0.80 CYP11B2 (0.40) PDK1GAAMAOBALDH1A1
SCHEMBL26123165 0.79 NPSR1 (0.50) ADORA1ADORA2ACYP1A2CYP2C19CYP2C9
SCHEMBL896566 0.79 MAPT (0.36) ADORA1ADORA2ACYP1A2CYP2C19PDK1
SCHEMBL20190252 0.77 CACNA2D1 (0.43) HSD11B1L3MBTL1KDM4EGAANPSR1
SCHEMBL9193844 0.76 ALOX5 (0.45) ADORA1ADORA2ACYP1A2CYP2C19CYP2C9

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 4 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
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 ADORA1 340/4885ADORA2A 180/4885CYP1A2 497/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 ADORA1 340/4885ADORA2A 180/4885CYP1A2 497/4885

“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.