SCHEMBL1948699

SCHEMBL1948699

CC1(Cc2cc(F)cc(F)c2)C(=O)NCc2ccc(-c3ccc(F)c(Cl)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 16/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ NR3C2 P08235 1/20 0.43
▸ AR P10275 1/20 0.43
▸ TDP2 O95551 1/20 0.42
▸ HTR2A P28223 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ EPHX2 P34913 1/20 0.36

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
SCHEMBL1949443 0.86 CACNA1B (0.42) PGRNR3C1NR3C2ARTDP2
SCHEMBL1948941 0.86 PGR (0.41) PGRNR3C1NR3C2ARTDP2
SCHEMBL3014377 0.83 PGR (0.58) PGRNR3C1NR3C2AREPHX2
SCHEMBL1848394 0.81 PGR (0.42) PGRNR3C1NR3C2ARTDP2
SCHEMBL1951405 0.80 PARP10 (0.43) PGREPHX2
SCHEMBL1950759 0.79 PGR (0.41) PGREPHX2
SCHEMBL1951020 0.78 OTUD7B (0.40) PGR
SCHEMBL2786464 0.77 PGR (0.39) PGRNR3C1NR3C2ARTDP2
SCHEMBL1952174 0.76 BACE1 (0.38) PGREPHX2
SCHEMBL2784455 0.76 PGR (0.40) PGRNR3C1NR3C2ARTDP2

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-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2011-06-09 — — US claimed
US-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2011-06-09 — — US disclosed
US-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2011-06-09 — — US disclosed
US-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2011-06-09 — — 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-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers CACNA1D, TRPV1, CACNA1S PGR 4650/4885NR3C1 1648/4885NR3C2 1306/4885

“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.

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