SCHEMBL1787872

SCHEMBL1787872

FC(F)(F)C1CCC(c2ccc(CCl)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
ESR2 Q92731 6/20 0.35
SPHK1 Q9NYA1 3/20 0.34
CYP2C9 P11712 2/20 0.33
ESR1 P03372 2/20 0.33
CYP3A4 P08684 1/20 0.33
LSS P48449 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PANK3 Q9H999 1/20 0.32
TBK1 Q9UHD2 1/20 0.31
TEAD1 P28347 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL1787869 1.00 HTR2C (0.36) HTR2CESR2SPHK1CYP2C9ESR1
SCHEMBL1787895 1.00 HTR2C (0.36) HTR2CESR2SPHK1CYP2C9ESR1
SCHEMBL16213455 0.84 ESR2 (0.42) ESR2SPHK1CYP2C9ESR1CYP3A4
SCHEMBL12603843 0.82 SPHK1 (0.41) HTR2CESR2SPHK1CYP2C9
SCHEMBL15437191 0.82 HTR2C (0.36) HTR2CESR2SPHK1CYP2C9ESR1
SCHEMBL1780216 0.82 ESR2 (0.42) HTR2CESR2SPHK1CYP2C9ESR1
SCHEMBL12603782 0.82 SPHK1 (0.41) HTR2CESR2SPHK1CYP2C9
SCHEMBL15437190 0.82 HTR2C (0.36) HTR2CESR2SPHK1CYP2C9ESR1
SCHEMBL1781540 0.82 ESR2 (0.42) HTR2CESR2SPHK1CYP2C9ESR1
SCHEMBL12603781 0.82 SPHK1 (0.41) HTR2CESR2SPHK1CYP2C9

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
EP-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 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-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 HTR2C 2306/4885ESR2 823/4885SPHK1 827/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 HTR2C 2306/4885ESR2 823/4885SPHK1 827/4885

“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.