SCHEMBL20249479

SCHEMBL20249479

Cc1cc(C(C)(C)C)ncc1N1CCNCC1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.36
OPRM1 P35372 5/20 0.36
MAP4K1 Q92918 1/20 0.34
PIM1 P11309 2/20 0.33
ALDH1A1 P00352 1/20 0.33
FLT3 P36888 1/20 0.32
SOS1 Q07889 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 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
SCHEMBL18291201 0.83 UHRF1 (0.36) OPRL1OPRM1MAP4K1PIM1ALDH1A1
SCHEMBL18291470 0.82 NOS3 (0.40) MAP4K1PIM1FLT3SOS1SLC6A2
SCHEMBL20249425 0.77 PIM1 (0.39) MAP4K1PIM1SOS1SLC6A2SLC6A4
SCHEMBL20249449 0.76 SOS1 (0.34) MAP4K1PIM1ALDH1A1SOS1SLC6A2
SCHEMBL8307179 0.75 HSD17B10 (0.44) ALDH1A1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2366300 0.73 HTR1A (0.45) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL20249104 0.71 SLC6A2 (0.38) OPRL1OPRM1MAP4K1PIM1SLC6A2
SCHEMBL3661183 0.71 P2RX7 (0.45) SOS1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5913607 0.70 P2RX7 (0.44) SOS1SLC6A2SLC6A4SLC6A3
SCHEMBL20037593 0.69 PIM1 (0.35) MAP4K1PIM1ALDH1A1SLC6A2SLC6A4

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 OPRL1 4655/4885OPRM1 4815/4885MAP4K1 198/4885

“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.