SCHEMBL8525435

SCHEMBL8525435

CCN1CCN(c2ncc(C)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.48
CHRNA7 P36544 1/20 0.44
GRM2 Q14416 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 3/20 0.42
PTPN11 Q06124 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAD52 P43351 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
KDM2B Q8NHM5 1/20 0.41
OGA O60502 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL82205 0.93 DHFR (0.44) DHFRCHRNA7GRM2ALDH1A1LMNA
SCHEMBL17972976 0.85 DHFR (0.49) DHFRGRM2LMNAPTPN11KDM4E
SCHEMBL1126090 0.83 GAA (0.53) DHFRCHRNA7GRM2LMNAPTPN11
SCHEMBL27363701 0.81 HTR3A (0.45) DHFRALDH1A1LMNA
SCHEMBL24827873 0.80 KDM4E (0.42) CHRNA7GRM2LMNAPTPN11KDM4E
SCHEMBL19145298 0.80 MEN1 (0.53) DHFRALDH1A1KDM4EGAAMEN1
SCHEMBL17973027 0.80 ALOX15 (0.45) DHFRALDH1A1
SCHEMBL2633644 0.80 MEN1 (0.54) CHRNA7ALDH1A1LMNAKDM4EMAPT
SCHEMBL27365982 0.80 GPR119 (0.38) DHFRGRM2ALDH1A1LMNAPTPN11
SCHEMBL21916934 0.79 PTPN11 (0.41) CHRNA7GRM2LMNAPTPN11KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220137-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 WO disclosed
US-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2016-01-07 US disclosed
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF ASTRAZENECA AB 2012-05-24 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-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 DHFR 210/4885CHRNA7 4650/4885GRM2 4510/4885
US-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES PDE1A, HDAC1, HDAC2 DHFR 521/4885CHRNA7 214/4885GRM2 1381/4885

“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.