SCHEMBL4541302

SCHEMBL4541302

CCOc1ccc2c(c1P(CC)CC)CCN(C(C)=O)[C@@H]2c1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
TRPV1 Q8NER1 1/20 0.35
ACACB O00763 2/20 0.35
KIF11 P52732 2/20 0.33
HHAT Q5VTY9 1/20 0.33
PDE4D Q08499 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL4240501 0.86 TP53 (0.39) TP53TRPV1ACACBKIF11HHAT
SCHEMBL987510 0.76 CA1 (0.48) TRPV1ESR1ESR2
SCHEMBL985641 0.68 CA1 (0.54) TRPV1TSHR
SCHEMBL986756 0.66 PARP1 (0.45) TP53TRPV1HHATTSHR
SCHEMBL983328 0.65 TSHR (0.47) TRPV1HHATTSHR
SCHEMBL987520 0.64 MEN1 (0.45) TRPV1ESR1ESR2TSHR
SCHEMBL987136 0.64 PARP1 (0.42) TRPV1HHATTSHR
SCHEMBL986456 0.63 EDNRA (0.49) TP53TRPV1TSHR
SCHEMBL987237 0.63 MTNR1B (0.51) TP53ESR1ESR2TSHR
SCHEMBL986042 0.61 PARP1 (0.43) TRPV1PDE4DTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099133-A1 Isoquinolines Derivatives as Igf-1R Inhibitors ANALYTECON S.A. (CH) 2009-04-16 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 (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-20090099133-A1 Isoquinolines Derivatives as Igf-1R Inhibitors IGF1R, IGFBP1, IGF2BP1 TP53 2582/4885TRPV1 4805/4885ACACB 2003/4885

“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.