SCHEMBL102788

SCHEMBL102788

Cc1ccccc1CC(N)=NO

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CTBP2 P56545 1/20 0.56
TAAR1 Q96RJ0 1/20 0.45
MAPK8 P45983 1/20 0.41
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SHBG P04278 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 1/20 0.38
NPC1 O15118 1/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 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
SCHEMBL19611620 1.00 LMNA (0.61) LMNASMN1; SMN2CTBP2TAAR1MAPK8
SCHEMBL102787 1.00 LMNA (0.61) LMNASMN1; SMN2CTBP2TAAR1MAPK8
SCHEMBL25947808 0.79 CTBP2 (0.44) LMNASMN1; SMN2CTBP2TAAR1MAPK8
SCHEMBL5341820 0.78 CTBP2 (0.42) LMNASMN1; SMN2CTBP2TAAR1MAPK8
SCHEMBL5341813 0.78 CTBP2 (0.42) LMNASMN1; SMN2CTBP2TAAR1MAPK8
SCHEMBL12505669 0.78 CTBP2 (0.58) LMNASMN1; SMN2CTBP2TAAR1MAPT
SCHEMBL6448276 0.77 TAAR1 (0.50) CTBP2TAAR1MAPK8MAPTMEN1
SCHEMBL103210 0.76 LMNA (0.56) LMNASMN1; SMN2TAAR1MAPK8MAPT
SCHEMBL641850 0.76 PKM (0.60) LMNASMN1; SMN2CTBP2TAAR1MAPK8
SCHEMBL103209 0.76 LMNA (0.56) LMNASMN1; SMN2TAAR1MAPK8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO 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 (5 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 LMNA 4407/4885SMN1; SMN2 881/4885CTBP2 2120/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 LMNA 4715/4885SMN1; SMN2 1094/4885CTBP2 1875/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 LMNA 2585/4885SMN1; SMN2 3486/4885CTBP2 3114/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 LMNA 4407/4885SMN1; SMN2 881/4885CTBP2 2120/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 LMNA 2585/4885SMN1; SMN2 3486/4885CTBP2 3114/4885

“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.