SCHEMBL21208562

SCHEMBL21208562

C[C@@H]1CN(c2ccc3nc(N4CC[C@H](F)C4)c4nc5ccccc5n4c3n2)C[C@H](C)N1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 7/20 0.42
▸ OPRM1 P35372 3/20 0.37
▸ OPRK1 P41145 3/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ OPRD1 P41143 2/20 0.32
▸ OGFRL1 Q5TC84 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
SCHEMBL21208611 0.83 HTR3A (0.40) PDE10AOPRM1OPRK1OPRD1OGFRL1
SCHEMBL21208554 0.83 HRH4 (0.45) PDE10AHRH4
SCHEMBL21208460 0.81 HRH4 (0.40) OPRM1OPRK1OPRL1HRH4MAPT
SCHEMBL21208584 0.79 PDE10A (0.35) PDE10AOPRK1HRH4
SCHEMBL21208498 0.76 HTR3E (0.41) OPRM1OPRK1OPRL1HRH4MAPT
SCHEMBL23919748 0.72 ALOX15 (0.36) OPRM1OPRK1OPRL1CDK4CDK6
SCHEMBL21208479 0.72 TLR9 (0.36) OPRM1OPRK1OPRL1HRH4CDK4
SCHEMBL21208430 0.71 HRH4 (0.37) OPRM1OPRK1OPRL1HRH4CDK4
SCHEMBL17255024 0.71 TSHR (0.40) PDE10AMAPTTSHR
SCHEMBL31403195 0.71 TSHR (0.40) PDE10AMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-10-14 — — US disclosed
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2019-08-01 — — 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-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PDE10A 1165/4885OPRM1 4469/4885OPRK1 2864/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 PDE10A 1580/4885OPRM1 4176/4885OPRK1 2777/4885

“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