SCHEMBL12260308

SCHEMBL12260308

CC(C)CCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ RXFP1 Q9HBX9 3/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ TP53 P04637 1/20 0.67
▸ TRPA1 O75762 2/20 0.60
▸ ADORA2B P29275 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ CYP1A2 P05177 2/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ LMNA P02545 3/20 0.57
▸ GAA P10253 1/20 0.57
▸ THRB P10828 1/20 0.56

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
SCHEMBL17744968 0.91 RXFP1 (0.75) KMT2AMEN1RXFP1MAPK1TP53
SCHEMBL5462777 0.88 RXFP1 (0.78) KMT2AMEN1RXFP1MAPK1TP53
SCHEMBL12260301 0.87 RXFP1 (0.71) KMT2AMEN1RXFP1MAPK1TP53
SCHEMBL12260302 0.87 RXFP1 (0.71) KMT2AMEN1RXFP1MAPK1TP53
SCHEMBL12260543 0.86 RXFP1 (0.69) KMT2AMEN1RXFP1MAPK1TP53
SCHEMBL12260506 0.86 RXFP1 (0.69) KMT2AMEN1RXFP1MAPK1TP53
SCHEMBL12260311 0.86 RXFP1 (0.69) KMT2AMEN1RXFP1MAPK1TP53
SCHEMBL17816993 0.86 RXFP1 (0.69) KMT2AMEN1RXFP1MAPK1TP53
SCHEMBL14747684 0.86 KMT2A (0.74) KMT2AMEN1RXFP1MAPK1TP53
SCHEMBL19919963 0.85 RXFP1 (0.68) KMT2AMEN1RXFP1MAPK1TP53

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 4 patents. 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
WO-2018039641-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES PHARMATROPHIX, INC. (US) 2018-03-01 — — WO disclosed
US-20110230479-A1 NEUROTROPHIN MIMETICS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-22 — — US disclosed
US-20110230479-A1 NEUROTROPHIN MIMETICS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-22 — — 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 (2 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 KMT2A 1542/4885MEN1 4538/4885RXFP1 1348/4885
US-20110230479-A1 NEUROTROPHIN MIMETICS AND USES THEREOF BDNF, NTRK2, NGF KMT2A 4245/4885MEN1 3442/4885RXFP1 423/4885

“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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