SCHEMBL4112181

SCHEMBL4112181

CCc1n[nH]c(CC)c1Oc1ccc(C#N)c(C#N)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.66
CYP19A1 P11511 1/20 0.41
PGR P06401 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAOB P27338 4/20 0.37
MAOA P21397 2/20 0.35
AR P10275 6/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LRRK2 Q5S007 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL4106178 0.88 KCNH2 (0.60) KCNH2CYP19A1PGRAR
SCHEMBL4109289 0.86 KCNH2 (0.58) KCNH2AR
SCHEMBL4109180 0.82 KCNH2 (0.75) KCNH2CYP19A1PGR
SCHEMBL508797 0.81 KCNH2 (0.76) KCNH2PGRARPDE4B
SCHEMBL2717764 0.80 KCNH2 (1.00) KCNH2PGR
SCHEMBL4209591 0.78 KCNH2 (0.41) KCNH2CYP19A1ALDH1A1HPGDMAOB
SCHEMBL4109780 0.77 KCNH2 (0.71) KCNH2PGRALDH1A1HPGD
SCHEMBL2716852 0.75 KCNH2 (1.00) KCNH2PGR
SCHEMBL2716992 0.74 KCNH2 (1.00) KCNH2PGR
SCHEMBL4810817 0.74 KCNH2 (0.83) KCNH2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
EP-1874732-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-01-09 EP disclosed
WO-2006111856-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2006-10-26 WO disclosed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 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 (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-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 KCNH2 984/4885CYP19A1 22/4885PGR 57/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 KCNH2 1091/4885CYP19A1 36/4885PGR 87/4885

“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.