SCHEMBL7945905

SCHEMBL7945905

CN1CCN(C(=O)C(=O)c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ MDH2 P40926 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ KIT P10721 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ GABRA1 P14867 1/20 0.48
▸ GABRG2 P18507 1/20 0.48
▸ GABRB3 P28472 1/20 0.48
▸ GABRA3 P34903 1/20 0.48
▸ GABRA2 P47869 1/20 0.48
▸ GABRB2 P47870 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ IMPDH2 P12268 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HAT1 O14929 1/20 0.47
▸ EP300 Q09472 1/20 0.47
▸ KDM4E B2RXH2 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
SCHEMBL7947691 0.88 ALDH1A1 (0.62) ALDH1A1HPGDMDH2SMN1; SMN2HDAC1
SCHEMBL1558306 0.86 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2GABRA1GABRG2
SCHEMBL1558290 0.83 MAPT (0.56) ALDH1A1HPGDSMN1; SMN2GABRA1GABRG2
SCHEMBL28757823 0.81 MDH2 (0.72) ALDH1A1HPGDMDH2SMN1; SMN2HDAC1
SCHEMBL16714028 0.80 MDH2 (0.85) ALDH1A1HPGDMDH2SMN1; SMN2HDAC1
SCHEMBL2084401 0.80 MDH2 (0.66) ALDH1A1HPGDMDH2SMN1; SMN2HDAC1
SCHEMBL1558366 0.80 MDH2 (0.69) ALDH1A1HPGDMDH2SMN1; SMN2HDAC1
SCHEMBL1558930 0.79 POLB (0.52) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL17023377 0.79 MDH2 (0.72) ALDH1A1HPGDMDH2SMN1; SMN2HDAC1
SCHEMBL1558805 0.79 POLB (0.46) ALDH1A1GABRA1GABRG2GABRB3GABRA3

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
US-20110166136-A1 Calcium Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2011-07-07 — — US disclosed
US-20110166136-A1 Calcium Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2011-07-07 — — US disclosed
WO-2010001179-A2 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-01-07 — — 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-20110166136-A1 Calcium Ion Channel Modulators & Uses Thereof CACNA1E, CACNA1B, KCNN3 ALDH1A1 3399/4885HPGD 2495/4885MDH2 1985/4885

“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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