SCHEMBL4956799

SCHEMBL4956799

C=CCOc1cnccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
GCGR P47871 1/20 0.39
MAPK14 Q16539 1/20 0.39
HTR2A P28223 6/20 0.38
HTR2C P28335 6/20 0.38
POLB P06746 1/20 0.38
TGFBR1 P36897 1/20 0.37
TGFBR2 P37173 1/20 0.37
HTR2B P41595 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL3823546 0.83 POLB (0.43) TSHRGAAGCGRMAPK14HTR2A
SCHEMBL28229161 0.79 IMPDH2 (0.41) TSHRGAAPOLBTGFBR1TGFBR2
SCHEMBL5699971 0.76 CA12 (0.49) POLBHPGD
SCHEMBL8811300 0.75 POLB (0.38) TSHRGAAGCGRMAPK14POLB
SCHEMBL13345451 0.75 IMPDH2 (0.41) TSHRGAAPOLBTGFBR1TGFBR2
SCHEMBL15288914 0.73 GAA (0.52) TSHRGAAMAPT
SCHEMBL4958013 0.73 POLB (0.40) GAAGCGRMAPK14HTR2APOLB
SCHEMBL1903030 0.73 TSHR (0.51) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL30216492 0.73 TSHR (0.51) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL4959255 0.73 PTGS1 (0.36) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423048-B2 Compounds for treating fundic disaccomodation JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-09 US disclosed
US-7081453-B2 Compounds for treating impaired fundic relaxation JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-25 US disclosed
US-20060142318-A1 Compounds for treating fundic disaccomodation VAN EMELEN KRISTOF 2006-06-29 US disclosed
EP-1296987-B1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA NV (BE) 2005-12-07 EP disclosed
US-20040019051-A1 Compounds for treating impaired fundic relaxation JANSSEN-CILAG S.A. (ES) 2004-01-29 US disclosed
EP-1296987-A1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-02 EP disclosed
WO-2001098306-A1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA N.V. (BE) 2001-12-27 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 (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-20040019051-A1 Compounds for treating impaired fundic relaxation CNR2, CNR1, CBR1 ADRA2A 22/4885ADRA2B 38/4885ADRA2C 18/4885
US-20060142318-A1 Compounds for treating fundic disaccomodation ALK, ADORA1, CHRM2 ADRA2A 20/4885ADRA2B 55/4885ADRA2C 45/4885

“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.