SCHEMBL13416638

SCHEMBL13416638

CC(C)[C@@H]1Cc2ccccc2CN1C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
OPRM1 P35372 3/20 0.39
OPRK1 P41145 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRL1 P41146 1/20 0.37
ACE P12821 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
NOTUM Q6P988 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
SCHEMBL12650870 1.00 MAOA (0.39) MAOAMAOBOPRM1OPRK1MEN1
SCHEMBL13693198 0.84 DPP8 (0.39) MAOAMAOBOPRM1MEN1KMT2A
SCHEMBL13181522 0.83 MAOA (0.38) MAOAMAOBOPRM1OPRL1ACE
SCHEMBL4737676 0.79 MEN1 (0.36) MAOAMAOBOPRM1OPRK1MEN1
SCHEMBL13247993 0.79 MEN1 (0.36) MAOAMAOBOPRM1OPRK1MEN1
SCHEMBL12658781 0.77 MEN1 (0.38) MEN1KMT2AACE
SCHEMBL21323509 0.77 MEN1 (0.34) MAOAMAOBOPRM1OPRK1MEN1
SCHEMBL22525290 0.77 MEN1 (0.34) MAOAMAOBOPRM1OPRK1MEN1
SCHEMBL12658784 0.77 MEN1 (0.38) MEN1KMT2AACE
SCHEMBL12658783 0.77 MEN1 (0.38) MEN1KMT2AACE

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-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 MAOA 688/4885MAOB 499/4885OPRM1 543/4885

“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.