SCHEMBL10169480

SCHEMBL10169480

CC(C)c1ccc(C2(C)CCN(C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.47
OPRM1 P35372 5/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL214820 0.81 OPRD1 (0.50) OPRD1OPRM1ALDH1A1LMNAKMT2A
SCHEMBL13452620 0.81 OPRM1 (0.57) OPRD1OPRM1ALDH1A1LMNAKMT2A
SCHEMBL12925944 0.80 OPRM1 (0.49) OPRD1OPRM1
SCHEMBL23080919 0.80 OPRL1 (0.40) OPRD1OPRM1HPGD
SCHEMBL17888280 0.79 OPRM1 (0.56) OPRD1OPRM1SLC6A3
SCHEMBL13363165 0.77 OPRD1 (0.50) OPRD1OPRM1ALDH1A1LMNA
SCHEMBL6926354 0.77 OPRM1 (0.51) OPRD1OPRM1KMT2ASMN1; SMN2SLC6A3
SCHEMBL684582 0.76 OPRD1 (0.62) OPRD1OPRM1ALDH1A1LMNAKMT2A
SCHEMBL10136472 0.76 NPC1 (0.37) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL26418819 0.76 DRD2 (0.39) OPRM1MEN1KMT2ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021254389-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2021-12-23 WO disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT OPRD1 4266/4885OPRM1 4363/4885HTR2A 3842/4885

“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.