SCHEMBL22135857

SCHEMBL22135857

Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.58
▸ KCNH2 Q12809 1/20 0.53
▸ DHODH Q02127 2/20 0.49
▸ CDC42 P60953 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ BRD3 Q15059 6/20 0.45
▸ PRMT5 O14744 1/20 0.44
▸ PKM P14618 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAPT P10636 2/20 0.41

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
SCHEMBL22135858 1.00 CYP2D6 (0.58) CYP2D6KCNH2DHODHCDC42GAA
SCHEMBL30455919 1.00 CYP2D6 (0.58) CYP2D6KCNH2DHODHCDC42GAA
SCHEMBL22135733 0.88 CYP2D6 (0.70) CYP2D6KCNH2DHODHCDC42GAA
SCHEMBL4191954 0.88 CYP2D6 (0.70) CYP2D6KCNH2DHODHCDC42GAA
SCHEMBL30455081 0.88 CYP2D6 (0.70) CYP2D6KCNH2DHODHCDC42GAA
Hydrochloric Acid SCHEMBL4160295 0.87 CYP2D6 (0.69) CYP2D6KCNH2DHODHCDC42GAA
SCHEMBL25247842 0.86 RB1 (0.55) CDC42BRD3PKMKDM4EALDH1A1
SCHEMBL4201376 0.85 CYP2D6 (0.65) CYP2D6KCNH2DHODHCDC42GAA
Hydrochloric Acid SCHEMBL4165595 0.84 CYP2D6 (0.64) CYP2D6KCNH2DHODHCDC42GAA
SCHEMBL22135775 0.84 CYP2D6 (0.58) CYP2D6KCNH2DHODHCDC42GAA

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-20220062233-A1 Compounds for the Reduction of the Deleterious Activity of Extended Nucleotide Repeat Containing Genes THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2022-03-03 — — US disclosed
WO-2020131573-A1 COMPOUNDS FOR THE REDUCTION OF THE DELETERIOUS ACTIVITY OF EXTENDED NUCLEOTIDE REPEAT CONTAINING GENES NUREDIS, INC. (US) 2020-06-25 — — WO 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-20220062233-A1 Compounds for the Reduction of the Deleterious Activity of Extended Nucleotide Repeat Containing Genes NSUN2, RTCB, RRM2B CYP2D6 3475/4885KCNH2 4714/4885DHODH 332/4885

“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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