SCHEMBL22158223

SCHEMBL22158223

COc1cnc2ccn(C(=O)O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ MTNR1B P49286 4/20 0.38
▸ MTNR1A P48039 3/20 0.38
▸ TFPI2 P48307 1/20 0.38
▸ HPGDS O60760 1/20 0.38

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
SCHEMBL25229548 0.82 ALDH1A1 (0.41) ALDH1A1HPGDF2GLAKMT2A
SCHEMBL29248231 0.78 PTGDR2 (0.43) ALDH1A1HPGDHTT
SCHEMBL23327801 0.76 SLC22A12 (0.41) ALDH1A1HPGDF2GLAMTNR1A
SCHEMBL30621458 0.74 ALDH1A1 (0.39) ALDH1A1HPGDF2GLAKMT2A
SCHEMBL30297606 0.73 TFPI2 (0.57) ALDH1A1HPGDKMT2AMTNR1BMTNR1A
SCHEMBL5569918 0.73 TFPI2 (0.57) ALDH1A1HPGDKMT2AMTNR1BMTNR1A
SCHEMBL21353441 0.72 GRIN2B (0.35) ALDH1A1
SCHEMBL12065347 0.71 KDM4E (0.57) ALDH1A1HPGD
SCHEMBL31200192 0.70 PIK3C3 (0.52) MTNR1BMTNR1A
SCHEMBL3249823 0.70 TUBB1 (0.62) ALDH1A1HPGDMTNR1BMTNR1ATFPI2

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-20200207759-A1 NEW PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A (ES) 2020-07-02 — — 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-20200207759-A1 NEW PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1B, CACNA1G, ADRB2 ALDH1A1 837/4885HPGD 1093/4885F2 2397/4885

“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.

Send feedback