SCHEMBL5634854

SCHEMBL5634854

C=CCOC(=O)N1C=CCCC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 1/20 0.34
CASP1 P29466 1/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
CHRM1 P11229 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ERN1 O75460 2/20 0.31
ALDH1A1 P00352 2/20 0.30
HSD17B10 Q99714 2/20 0.30
SIGMAR1 Q99720 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5634756 0.90 CYP3A4 (0.36) MAPK1LMNARAB9ACYP3A4TSHR
SCHEMBL9198854 0.83 CYP3A4 (0.36) MAPK1LMNARAB9ACYP3A4CASP1
SCHEMBL25759298 0.80 ALDH1A1 (0.38) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL9192901 0.79 LMNA (0.35) MAPK1LMNARAB9ACYP3A4TSHR
SCHEMBL9853679 0.78 SLC6A2 (0.30) SLC6A2SLC6A4
SCHEMBL16372005 0.76 SMN1; SMN2 (0.43) MAPK1LMNARAB9ACYP3A4CHRM1
SCHEMBL27595630 0.72 CYP3A4 (0.35) MAPK1LMNARAB9ACYP3A4TSHR
SCHEMBL19125195 0.72 SRC (0.33) MAPK1SLC6A2SLC6A4
SCHEMBL8317405 0.71 KMT2A (0.50) MAPK1RAB9ANPSR1SLC6A2ALDH1A1
SCHEMBL22574887 0.70 CYP3A4 (0.35) MAPK1LMNARAB9ACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013149996-A9 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2014-02-20 WO disclosed
WO-2013149996-A1 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2013-10-10 WO disclosed
US-20070161619-A1 Pyrroloquinoline and piperidoquinoline derivatives, preparation thereof, compositions containing them and uses thereof ASTRAZENECA AB (SE) 2007-07-12 US disclosed
US-20070161619-A1 Pyrroloquinoline and piperidoquinoline derivatives, preparation thereof, compositions containing them and uses thereof ASTRAZENECA AB (SE) 2007-07-12 US disclosed
US-20070161619-A1 Pyrroloquinoline and piperidoquinoline derivatives, preparation thereof, compositions containing them and uses thereof ASTRAZENECA AB (SE) 2007-07-12 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 (1 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-20070161619-A1 Pyrroloquinoline and piperidoquinoline derivatives, preparation thereof, compositions containing them and uses thereof OPRL1, OPRD1, OPRK1 MAPK1 3729/4885LMNA 3122/4885RAB9A 1193/4885

“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.