SCHEMBL7220581

SCHEMBL7220581

COc1cccc(C2=CCC(O)(C#N)C=C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
NAAA Q02083 4/20 0.37
KMT2A Q03164 1/20 0.37
PGR P06401 1/20 0.37
AR P10275 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
FAAH O00519 1/20 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
SCHEMBL28946203 0.80 CHRNB4 (0.31)
SCHEMBL28651752 0.66 NPC1 (0.31) HPGDTP53NPC1RAB9ASMN1; SMN2
SCHEMBL6931636 0.65 HSD17B2 (0.37) TP53NPC1RAB9ASMN1; SMN2
SCHEMBL21751183 0.64
SCHEMBL196765 0.64 CYP3A4 (0.73) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL29489425 0.64 CYP3A4 (0.73) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL21111928 0.63 MEN1 (0.35) HPGDHTTCYP1A2CYP3A4CYP2C9
SCHEMBL2027568 0.63 MAOB (0.42) TP53CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1484253 0.62 NCOA1 (0.39) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29628977 0.62 CYP3A4 (0.77) CYP1A2CYP3A4CYP2C9CYP2C19HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620839-B2 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2003-09-16 US disclosed
US-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-09-26 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-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 HPGD 495/4885TP53 4441/4885HTT 1422/4885

“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.