SCHEMBL13877397

SCHEMBL13877397

COc1cc(OC(C)C)ccc1[C@@H](C)N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA1A P35348 1/20 0.46
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
PARP10 Q53GL7 1/20 0.41
HTR2A P28223 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
Hydrochloric Acid SCHEMBL4229055 0.98 MEN1 (0.47) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL5192232 0.87 CYP2D6 (0.59) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL4188000 0.87 CYP2D6 (0.59) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL4172951 0.87 CYP2D6 (0.59) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL13400663 0.85 LPAR1 (0.42) CYP2D6MEN1KMT2APARP10ALDH1A1
SCHEMBL13877387 0.81 HIF1A (0.47) CYP2D6ADRA2AADRA1AMEN1MAPK1
Hydrochloric Acid SCHEMBL4225657 0.79 MEN1 (0.46) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL10636549 0.79 CA2 (0.64) CYP2D6MEN1KMT2APARP10ALDH1A1
SCHEMBL31570095 0.78 ALDH1A1 (0.66) MEN1KMT2APARP10ALDH1A1CA12
SCHEMBL19612492 0.77 CA12 (0.56) CYP2D6MEN1MAPK1KMT2APARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 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 (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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 CYP2D6 50/4885ADRA2A 195/4885ADRA1A 129/4885

“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.