SCHEMBL21218027

SCHEMBL21218027

CN(C)CCCNC(=O)Cn1cnc2c1C(=O)N(C)C(O)N2C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ DNM1 Q05193 1/20 0.34

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
SCHEMBL21217570 0.87 MAPK1 (0.36) ALDH1A1KMT2AMEN1GFERMAPT
SCHEMBL21218064 0.85 RAB9A (0.44) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL20161778 0.79 NAMPT (0.35) ALDH1A1L3MBTL1MAPK1CYP2C19RXFP1
SCHEMBL22085071 0.78 SMN1; SMN2 (0.46) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL19590941 0.76 KMT2A (0.39) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL20079712 0.76 TDP1 (0.47) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL19590969 0.75 LMNA (0.37) ALDH1A1KMT2AMEN1GFERMAPT
SCHEMBL19590948 0.75 MTNR1A (0.46) ALDH1A1KDM4ECYP2C9POLB
SCHEMBL19590910 0.73 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL19472287 0.72 AMPD2 (0.38) ALDH1A1KMT2AMEN1KDM4ETSHR

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-20190231787-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-01 — — 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-20190231787-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES ADH1A, NTRK2, ADH1C ALDH1A1 82/4885KMT2A 1542/4885MEN1 4538/4885

“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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