SCHEMBL22895103

SCHEMBL22895103

CCc1cc2c(s1)CCOCCNCCC2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
ADRA1D P25100 2/20 0.36
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PNMT P11086 1/20 0.31
KCNH2 Q12809 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8000759 0.77 POLB (0.56) POLBADRA1DMEN1KMT2AGAA
SCHEMBL18197636 0.76 KCNH2 (0.35) POLBADRA1DPNMTKCNH2
SCHEMBL11987816 0.76 POLB (0.59) POLBADRA1DMEN1KMT2AKDM4E
SCHEMBL11987826 0.76 POLB (0.59) POLBADRA1DMEN1KMT2AKDM4E
SCHEMBL19441931 0.73 KCNH2 (0.35) POLBKCNH2
SCHEMBL22502985 0.71 PNMT (0.43) PNMT
SCHEMBL24627475 0.65 HTR2C (0.52) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL19406888 0.65 PNMT (0.39) CYP2C9PNMTKCNH2
SCHEMBL16519854 0.64 POLB (0.53) POLBADRA1DMEN1KMT2AGAA
Morpholine SCHEMBL456806 0.62

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-10894033-B2 Multicyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2021-01-19 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-10894033-B2 Multicyclic compounds and methods of use thereof GRIN2C, NLN, COMT POLB 2699/4885ADRA1D 2536/4885MEN1 1905/4885

“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.