SCHEMBL7253433

SCHEMBL7253433

CC(C)C[C@H](N)C(=O)CN1CCCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.54
CHRM4 P08173 4/20 0.54
CHRM1 P11229 4/20 0.54
CHRM3 P20309 4/20 0.54
ALDH1A1 P00352 6/20 0.53
GAA P10253 2/20 0.53
ELANE P08246 1/20 0.47
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
Hydrochloric Acid SCHEMBL5849035 0.99 CHRM2 (0.53) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL5848654 0.79 CTSL (0.52) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL21021364 0.77 ALDH1A1 (0.53) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL5848547 0.77 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL8981985 0.77 CHRM2 (0.67) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL6866937 0.77 ELANE (0.48) ELANEMAPTMEN1KMT2AHDAC1
SCHEMBL5850357 0.77 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL5850300 0.77 ALDH1A1 (0.48) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL5848662 0.77 ALDH1A1 (0.51) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL30775585 0.76 CHRM2 (0.68) CHRM2CHRM4CHRM1CHRM3ALDH1A1

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-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US claimed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP claimed

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-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient BACH1, BACE1, CMA1 CHRM2 1890/4885CHRM4 3310/4885CHRM1 2206/4885

“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.