SCHEMBL8740243

SCHEMBL8740243

COc1cnn(C2CCCCO2)c(=O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.42
CNR2 P34972 2/20 0.38
ATR Q13535 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
YTHDC1 Q96MU7 1/20 0.36
KMT2A Q03164 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
NPBWR1 P48145 1/20 0.34
HPGD P15428 1/20 0.34
DRD1 P21728 1/20 0.34
GRM7 Q14831 1/20 0.33
PDE1A P54750 1/20 0.33

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
SCHEMBL1008747 0.85 ALDH1A1 (0.41) ALDH1A1LMNAPOLBCNR2CYP4F2
SCHEMBL8242935 0.84 ALDH1A1 (0.43) ALDH1A1LMNAPOLBRAB9AATR
SCHEMBL1009103 0.83 CYP4F2 (0.42) ALDH1A1LMNAPOLBRAB9ACNR2
SCHEMBL13267231 0.82 ALDH1A1 (0.46) ALDH1A1LMNAPOLBCNR2ATR
SCHEMBL1008524 0.82 ALDH1A1 (0.48) ALDH1A1LMNAPOLBRAB9ACNR2
SCHEMBL31104176 0.82 ALDH1A1 (0.39) ALDH1A1LMNAPOLBRAB9ACNR2
SCHEMBL1009089 0.82 LMNA (0.39) ALDH1A1LMNAPOLBRAB9ACYP4F2
SCHEMBL31104330 0.82 ALDH1A1 (0.39) ALDH1A1LMNAPOLBRAB9ACNR2
SCHEMBL8237951 0.81 LMNA (0.40) ALDH1A1LMNAPOLBATRCYP4F2
SCHEMBL26019884 0.80 ALDH1A1 (0.38) ALDH1A1LMNAPOLBCNR2CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2018-07-19 US disclosed
EP-3323821-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS Pfizer Inc (US) 2018-05-23 EP disclosed
EP-2917219-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2017-09-27 EP disclosed
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2017-06-15 US disclosed
US-9617275-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-04-11 US disclosed
US-20150344490-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2015-12-03 US disclosed
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER (US) 2015-10-15 US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-5623072-A CONTROLLING WEED; CROP TOLERANCE MONSANTO COMPANY (US) 1997-04-22 US disclosed
US-5616789-A CHEMICAL INTERMEDIATE FOR 2-PHENYLPYRIDAZINE HERBICIDE MONSANTO COMPANY (US) 1997-04-01 US disclosed
US-5559080-A 3-phenoxypyridazines, herbicidal compositions and uses thereof MONSANTO COMPANY (US) 1996-09-24 US disclosed
US-5536701-A 3-pyrazolyloxypyridazines, herbicidal compositions and uses thereof MONSANTO COMPANY (US) 1996-07-16 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 (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-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands COMT, DRD2, NR3C1 ALDH1A1 2144/4885LMNA 3882/4885POLB 1525/4885
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 ALDH1A1 1063/4885LMNA 4191/4885POLB 2482/4885
US-20150344490-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 ALDH1A1 1063/4885LMNA 4191/4885POLB 2482/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK ALDH1A1 1059/4885LMNA 3588/4885POLB 2078/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 ALDH1A1 3584/4885LMNA 3637/4885POLB 1793/4885

“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.