SCHEMBL869078

SCHEMBL869078

C[C@H](c1ccccc1)N1CC2(C)CC2(OC(=O)NC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRL1 P41146 2/20 0.34
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
MAPT P10636 2/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
MC4R P32245 1/20 0.33
CYP3A4 P08684 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL2636383 0.82 CYP2D6 (0.41) CYP2D6KMT2ASMN1; SMN2OPRL1ALDH1A1
SCHEMBL2636381 0.82 CYP2D6 (0.41) CYP2D6KMT2ASMN1; SMN2OPRL1ALDH1A1
SCHEMBL868802 0.81 CYP2D6 (0.35) CYP2D6MEN1KMT2AOPRL1ALDH1A1
SCHEMBL10027443 0.74 CTSK (0.37) CYP2D6OPRL1ALDH1A1OPRM1OPRD1
SCHEMBL28219354 0.73 CTSK (0.42)
SCHEMBL4748443 0.70 OPRL1 (0.37) CYP2D6OPRL1ALDH1A1OPRM1OPRD1
SCHEMBL2670195 0.70 OPRL1 (0.37) CYP2D6OPRL1ALDH1A1OPRM1OPRD1
SCHEMBL770019 0.69 KMT2A (0.36) CYP2D6MEN1LMNAGAAHTT
SCHEMBL4749177 0.69 UTS2R (0.36) CYP2D6OPRL1OPRM1OPRD1OPRK1
SCHEMBL28281004 0.68 CYP2D6 (0.44) CYP2D6HTTCYP3A4CYP1A2DRD4

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-20120077795-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXSMITHKLINE LLC (US) 2012-03-29 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-20120077795-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R CYP2D6 557/4885MEN1 406/4885LMNA 3893/4885

“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.