SCHEMBL4105299

SCHEMBL4105299

N#Cc1ccc(Oc2c(C3CC3)n[nH]c2C2CC2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.41
PGR P06401 4/20 0.39
SCN9A Q15858 1/20 0.36
SLC22A12 Q96S37 5/20 0.36
MAT2A P31153 1/20 0.35
ESRRA P11474 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 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
SCHEMBL4751633 0.88 AR (0.41) ARPGRSCN9ASLC22A12ESRRA
SCHEMBL4105432 0.86 AR (0.38) ARSLC22A12MAT2AESRRA
SCHEMBL4104449 0.80 PGR (0.40) PGRMAT2AJAK2JAK1JAK3
SCHEMBL4752256 0.78 AR (0.39) ARPGRHPGD
SCHEMBL509046 0.77 KCNH2 (0.45) MAT2ACYP2C19
SCHEMBL4109832 0.75 ENPP3 (0.39) ARSLC22A12MAT2AESRRA
SCHEMBL4105032 0.74 LRRK2 (0.37) MAT2ACYP1A2CYP2C19
SCHEMBL4751277 0.74 AR (0.40) ARSLC22A12ESRRA
SCHEMBL17671340 0.70 LRRK2 (0.41) MAT2A
SCHEMBL10250882 0.70 KCNH2 (0.36) MAT2A

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 AR 387/4885PGR 57/4885SCN9A 584/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 AR 400/4885PGR 87/4885SCN9A 445/4885

“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.