SCHEMBL17549652

SCHEMBL17549652

O=C(CCN1CCC(N2CCCCC2)CC1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
KMT2A Q03164 6/20 0.73
GFER P55789 1/20 0.71
SIGMAR1 Q99720 1/20 0.64
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 2/20 0.57
L3MBTL3 Q96JM7 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
EGFR P00533 2/20 0.53
HTR1A P08908 1/20 0.51

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
SCHEMBL5201062 0.91 ALDH1A1 (0.59) ALDH1A1KMT2AGFERSIGMAR1L3MBTL3
SCHEMBL17549654 0.86 SIGMAR1 (0.61) ALDH1A1KMT2AGFERSIGMAR1LMNA
SCHEMBL5356971 0.85 ALDH1A1 (1.00) ALDH1A1KMT2AGFERSIGMAR1LMNA
SCHEMBL10107784 0.85 ALDH1A1 (1.00) ALDH1A1KMT2AGFERSIGMAR1LMNA
Hydrochloric Acid SCHEMBL10675086 0.84 ALDH1A1 (1.00) ALDH1A1KMT2AGFERSIGMAR1LMNA
Hydrochloric Acid SCHEMBL29354698 0.84 ALDH1A1 (1.00) ALDH1A1KMT2AGFERSIGMAR1LMNA
SCHEMBL10507206 0.83 ALDH1A1 (0.96) ALDH1A1KMT2AGFERSIGMAR1MAPT
Hydrochloric Acid SCHEMBL10670221 0.82 ALDH1A1 (0.97) ALDH1A1KMT2AGFERSIGMAR1LMNA
SCHEMBL17549666 0.81 SIGMAR1 (0.73) ALDH1A1KMT2AGFERSIGMAR1LMNA
SCHEMBL2725965 0.80 KMT2A (0.90) ALDH1A1KMT2AGFERSIGMAR1MAPT

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-20160060235-A1 Therapeutic Agent for Type 2 Diabetes NATIONAL UNIVERSITY CORPORATION KUMAMOTO UNIVERSITY (JP) 2016-03-03 US disclosed
US-20160060235-A1 Therapeutic Agent for Type 2 Diabetes NATIONAL UNIVERSITY CORPORATION KUMAMOTO UNIVERSITY (JP) 2016-03-03 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-20160060235-A1 Therapeutic Agent for Type 2 Diabetes RNASE1, CDKL2, CDKL1 ALDH1A1 3775/4885KMT2A 903/4885GFER 4671/4885

“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.