SCHEMBL8258573

SCHEMBL8258573

CC(C)N1CCCC(N(C)Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
HRH3 Q9Y5N1 4/20 0.44
HRH4 Q9H3N8 1/20 0.44
SLC18A3 Q16572 1/20 0.43
OPRM1 P35372 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
AGTR2 P50052 2/20 0.42
NAAA Q02083 1/20 0.42
GRIN2B Q13224 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
MCHR1 Q99705 1/20 0.40

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
SCHEMBL26618008 0.92 OPRM1 (0.47) KMT2AHRH3SLC18A3OPRM1SIGMAR1
SCHEMBL8260731 0.86 L3MBTL1 (0.50) KMT2ASLC18A3OPRM1SIGMAR1AGTR2
SCHEMBL8260718 0.82 HRH3 (0.49) HRH3HRH4SLC18A3AGTR2GRIN2B
SCHEMBL8437758 0.81 SIGMAR1 (0.52) KMT2AHRH3HRH4SLC18A3OPRM1
SCHEMBL6098562 0.79 KMT2A (0.43) KMT2AAGTR2
SCHEMBL14526649 0.79 ALDH1A1 (0.45) KMT2A
SCHEMBL20281451 0.79 KMT2A (0.53) KMT2AHRH3HRH4SLC18A3OPRM1
SCHEMBL11251947 0.78 HRH3 (0.67) HRH3HRH4SLC18A3OPRM1SIGMAR1
SCHEMBL17886958 0.78 KMT2A (0.49) KMT2AHRH3HRH4SLC18A3OPRM1
SCHEMBL531089 0.77 HRH3 (0.70) HRH3HRH4SLC18A3NAAAGRIN2B

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-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
US-7208602-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-04-24 US disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 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-20040171614-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP KMT2A 3318/4885HRH3 789/4885HRH4 1785/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP KMT2A 2232/4885HRH3 278/4885HRH4 720/4885

“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.