SCHEMBL22008377

SCHEMBL22008377

CC(C)N1CCC2(COC2C)C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CYP2D6 P10635 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
SCHEMBL16984291 0.76 HRH3 (0.35) HRH3CYP2D6
SCHEMBL18705140 0.75 HRH3 (0.31) HRH3
SCHEMBL14546271 0.73 HRH3 (0.33) HRH3CYP2D6
SCHEMBL18705136 0.73 HRH3 (0.36) HRH3
SCHEMBL23022406 0.71 PTPN11 (0.42) —
SCHEMBL20909177 0.71 PTPN11 (0.42) —
SCHEMBL20909286 0.71 PTPN11 (0.42) —
SCHEMBL22520445 0.71 PTPN11 (0.42) —
SCHEMBL19756436 0.71 CYP2D6 (0.36) HRH3CYP2D6
SCHEMBL19756456 0.71 CYP2D6 (0.36) HRH3CYP2D6

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-10954244-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-03-23 — — US disclosed
US-20200157106-A1 Novel Compounds and Uses Thereof KALA BIO, Inc. 2020-05-21 — — 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-20200157106-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA HRH3 2389/4885CHRM1 1386/4885CYP2D6 3557/4885
US-10954244-B2 Compounds and uses thereof RB1, VEGFA, FLT4 HRH3 2294/4885CHRM1 2017/4885CYP2D6 3714/4885

“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.

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