SCHEMBL21852637

SCHEMBL21852637

CO[C@@H]1C[C@@H]2CN(Cc3ccccc3)CCN2C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.47
▸ OPRK1 P41145 3/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ SIGMAR1 Q99720 4/20 0.47
▸ MC4R P32245 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ HRH2 P25021 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL21704267 0.82 SIGMAR1 (0.59) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL7820699 0.80 HRH3 (0.46) SIGMAR1ACHE
SCHEMBL22886036 0.79 FUCA1 (0.51) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL7823437 0.78 ALDH1A1 (0.55) OPRM1OPRK1OPRD1SIGMAR1MC4R
SCHEMBL21852691 0.78 ALDH1A1 (0.55) OPRM1OPRK1OPRD1SIGMAR1MC4R
SCHEMBL14814874 0.78 ALDH1A1 (0.55) OPRM1OPRK1OPRD1SIGMAR1MC4R
SCHEMBL21595411 0.78 ALDH1A1 (0.55) OPRM1OPRK1OPRD1SIGMAR1MC4R
SCHEMBL14815061 0.76 OPRK1 (0.44) OPRM1OPRK1OPRD1SIGMAR1ACHE
SCHEMBL14814859 0.76 OPRK1 (0.44) OPRM1OPRK1OPRD1SIGMAR1ACHE
SCHEMBL4512639 0.76 LTA4H (0.60) SIGMAR1ACHECYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 — — US disclosed
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 — — US disclosed
CN-111094292-A Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2020-05-01 — — CN disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 — — US disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 — — 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 (2 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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 OPRM1 3161/4885OPRK1 1471/4885OPRD1 2726/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 OPRM1 3161/4885OPRK1 1471/4885OPRD1 2726/4885

“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