SCHEMBL3168174

SCHEMBL3168174

CCc1cc(Br)ccc1NC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
OPRM1 P35372 1/20 0.40
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 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
SCHEMBL3176926 0.86 MEN1 (0.37) MAPK1OPRM1LMNAHPGDSMN1; SMN2
SCHEMBL27714409 0.82 CYP2A6 (0.38) CSNK2A1
SCHEMBL11412295 0.80 ABCC9 (0.33) ALDH1A1POLBABCC9ABCC8KCNJ11
SCHEMBL15173341 0.77 MAPK1 (0.46) MAPK1OPRM1LMNATSHRHPGD
SCHEMBL1993769 0.76 MAPK1 (0.48) MAPK1OPRM1LMNATSHRHPGD
SCHEMBL3183675 0.76 SIGMAR1 (0.44) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL8293173 0.76 MAPK1 (0.44) MAPK1OPRM1LMNATSHRHPGD
SCHEMBL3182185 0.74 GABRA1 (0.41) MAPK1LMNATSHRHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL1584720 0.74 MAPK1 (0.47) MAPK1OPRM1LMNATSHRHPGD
SCHEMBL6901376 0.73 ALDH1A1 (0.44) TSHRALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652062-B2 Cyanopyrrole-phenyl amide progesterone receptor modulators and uses thereof WYETH LLC (US) 2010-01-26 US disclosed
CN-101287461-A Use of 5-amido-1h-pyrrole-2-nitrile derivative as progesterone receptor modulators WYETH CORP (US) 2008-10-15 CN disclosed
CN-101233103-A Cyanopyrrole-phenyl amide progesterone receptor modulators and uses thereof WYETH CORP (US) 2008-07-30 CN disclosed
EP-1909785-A2 USE OF PROGESTERONE RECEPTOR MODULATORS Wyeth a Corporation of the State of Delaware (US) 2008-04-16 EP disclosed
EP-1910284-A1 CYANOPYRROLE-PHENYL AMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF Wyeth (US) 2008-04-16 EP disclosed
US-20080064673-A1 Cyanopyrrole-phenyl amide progesterone receptor modulators and uses thereof WYETH (US) 2008-03-13 US disclosed
US-7297713-B2 Cyanopyrrole-phenyl amide progesterone receptor modulators and uses thereof WYETH (US) 2007-11-20 US disclosed
WO-2007016211-A1 CYANOPYRROLE-PHENYL AMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF WYETH (US) 2007-02-08 WO disclosed
WO-2007016385-A2 USE OF SUBSTITUTED 5-AMINO-1H-PYRROLE-2-CARBONITRILE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2007-02-08 WO disclosed
US-20070027125-A1 Cyanopyrrole-phenyl progesterone receptor modulators and uses thereof WYETH (US) 2007-02-01 US disclosed
US-20070027201-A1 Use of progesterone receptor modulators WYETH (US) 2007-02-01 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 (3 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-20080064673-A1 Cyanopyrrole-phenyl amide progesterone receptor modulators and uses thereof PGR, GNRHR, PGRMC1 MAPK1 437/4885OPRM1 246/4885LMNA 4115/4885
US-20070027125-A1 Cyanopyrrole-phenyl progesterone receptor modulators and uses thereof PGR, PGRMC1, PGRMC2 MAPK1 438/4885OPRM1 266/4885LMNA 4065/4885
US-20070027201-A1 Use of progesterone receptor modulators GNRHR, PGR, FSHR MAPK1 874/4885OPRM1 301/4885LMNA 1341/4885

“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.