SCHEMBL17549678

SCHEMBL17549678

CC(=O)N1CCN(CCC(=O)c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.67
▸ ALDH1A1 P00352 5/20 0.67
▸ GFER P55789 1/20 0.65
▸ MAPT P10636 2/20 0.63
▸ HTR1A P08908 7/20 0.59
▸ SIGMAR1 Q99720 1/20 0.58
▸ SLC6A4 P31645 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.58
▸ CHRM3 P20309 1/20 0.55

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
SCHEMBL16026463 0.88 KMT2A (0.83) KMT2AALDH1A1GFERMAPTHTR1A
Hydrochloric Acid SCHEMBL7934846 0.87 KMT2A (0.83) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL17549668 0.86 KMT2A (0.84) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL3893679 0.85 KMT2A (0.73) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL10432577 0.84 ALDH1A1 (0.70) KMT2AALDH1A1MAPTSLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7932173 0.84 KMT2A (0.73) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL17549676 0.84 KMT2A (0.71) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL17549664 0.84 KMT2A (0.71) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL12123912 0.83 HTR1A (0.65) KMT2AALDH1A1HTR1ASIGMAR1
Hydrochloric Acid SCHEMBL8344861 0.83 KMT2A (0.71) KMT2AALDH1A1GFERMAPTHTR1A

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 1 patent. 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

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 KMT2A 903/4885ALDH1A1 3775/4885GFER 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.

Send feedback