SCHEMBL26599110

SCHEMBL26599110

c1cnc2c(c1)COC21CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.49
OPRD1 P41143 1/20 0.34
OPRM1 P35372 2/20 0.34
KCNH2 Q12809 2/20 0.34
OPRL1 P41146 1/20 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
SCHEMBL30670269 1.00 AVPR1A (0.49) AVPR1AOPRD1OPRM1KCNH2OPRL1
SCHEMBL30670255 0.90 AVPR1A (0.44) AVPR1AOPRD1OPRM1KCNH2
SCHEMBL30447969 0.85 AVPR1A (0.50) AVPR1AOPRD1OPRM1KCNH2
SCHEMBL1588637 0.82 AVPR1A (0.48) AVPR1AOPRD1OPRM1KCNH2
SCHEMBL26599222 0.81 AVPR1A (0.43) AVPR1AOPRD1OPRM1KCNH2
SCHEMBL30670266 0.81 AVPR1A (0.43) AVPR1AOPRD1OPRM1KCNH2
SCHEMBL30448121 0.81 AVPR1A (0.53) AVPR1AOPRM1KCNH2
Hydrochloric Acid SCHEMBL2519782 0.81 AVPR1A (0.47) AVPR1AOPRD1OPRM1KCNH2
Hydrochloric Acid SCHEMBL16836155 0.81 AVPR1A (0.47) AVPR1AOPRD1OPRM1KCNH2
SCHEMBL31415638 0.78 AVPR1A (0.44) AVPR1AOPRD1OPRM1KCNH2

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-20230339977-A1 SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND APPLICATION THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-10-26 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-20230339977-A1 SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND APPLICATION THEREOF TYK2, JAK1, JAK3 AVPR1A 1934/4885OPRD1 757/4885OPRM1 506/4885

“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.