SCHEMBL20970852

SCHEMBL20970852

CCCCC(C)N1CCC2(CCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.35
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
KDM2B Q8NHM5 1/20 0.32
SIGMAR1 Q99720 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL27460792 0.85 HTR1A (0.34) HTR1AOPRM1OPRD1OPRK1OPRL1
SCHEMBL24688458 0.82 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1KDM2B
SCHEMBL20153166 0.82 TSHR (0.33) OPRM1OPRD1OPRK1OPRL1KDM2B
SCHEMBL24941850 0.81 CYP2D6 (0.35) HTR1A
SCHEMBL22108163 0.80 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1
SCHEMBL20148100 0.80 KDM4E (0.31)
SCHEMBL3869954 0.80 HRH3 (0.41) OPRM1KDM2B
SCHEMBL28237829 0.80 HRH3 (0.41) OPRM1KDM2B
SCHEMBL28122630 0.80
SCHEMBL24318782 0.79 HTR1A (0.31) HTR1AOPRM1OPRL1

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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HTR1A 2573/4885OPRM1 2782/4885OPRD1 2063/4885

“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.