SCHEMBL1788084

SCHEMBL1788084

CC1(C)CCC(NCc2ccc(-c3cccc(-c4ncnn4COCC[Si](C)(C)C)c3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HTR5A P47898 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
KCNJ1 P48048 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
CCNE2 O96020 1/20 0.32
CCNA2 P20248 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
WDR5 P61964 1/20 0.32

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
SCHEMBL1789929 0.81 HDAC1 (0.36) MEN1RAB9AKMT2AHDAC1HDAC6
SCHEMBL1787318 0.74 F2RL1 (0.35) HDAC1HDAC6
SCHEMBL1788815 0.72 DGAT1 (0.39) MEN1RAB9AKMT2AHDAC1HDAC6
SCHEMBL12651169 0.71 MEN1 (0.43) MEN1RAB9AKMT2AHDAC1HTR5A
Hydrochloric Acid SCHEMBL16195194 0.70 MEN1 (0.45) MEN1RAB9AKMT2AHDAC1HTR5A
SCHEMBL1788271 0.70 MEN1 (0.44) MEN1RAB9AKMT2AHDAC1HTR5A
SCHEMBL31417941 0.68 HSD17B2 (0.36)
SCHEMBL31418122 0.67 FAAH (0.47)
SCHEMBL12651521 0.67 METAP2 (0.46) MEN1RAB9AKMT2AHDAC1HRH3
SCHEMBL31417917 0.67 FAAH (0.48)

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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 MEN1 4865/4885RAB9A 1186/4885KMT2A 3867/4885

“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.