SCHEMBL5448792

SCHEMBL5448792

CCc1cccc2c(C(C)=O)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.44
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL5443063 0.89 OPRM1 (0.43) OPRM1SLC6A3ALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL5448772 0.89 LMNA (0.47) OPRM1ALDH1A1
SCHEMBL5456698 0.88 PRPS1 (0.42) OPRM1SLC6A3ALDH1A1SIGMAR1MEN1
SCHEMBL5445386 0.88 HTR2A (0.43) SLC6A3ALDH1A1SMN1; SMN2SIGMAR1MEN1
SCHEMBL5447026 0.86 ABCC1 (0.44) SLC6A3ALDH1A1SIGMAR1MEN1NPC1
SCHEMBL14412038 0.85 LMNA (0.49) OPRM1ALDH1A1
SCHEMBL5447887 0.85 PKM (0.44) ALDH1A1SMN1; SMN2SIGMAR1MEN1RAB9A
SCHEMBL5444504 0.84 POLB (0.47) NPC1POLBRAB9A
SCHEMBL5455205 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5446718 0.82 CNR1 (0.47) SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR OPRM1 217/4885SLC6A3 1022/4885ALDH1A1 2963/4885

“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.