SCHEMBL5454571

SCHEMBL5454571

CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HTR3A P46098 5/20 0.50
TP53 P04637 1/20 0.48
KMT2A Q03164 1/20 0.46
CREBBP Q92793 2/20 0.45
CNR2 P34972 3/20 0.45
PKM P14618 1/20 0.43
NR2F2 P24468 1/20 0.42
OPRK1 P41145 2/20 0.42
KCNH2 Q12809 2/20 0.42
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL14411761 1.00 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HTR3ATP53KMT2A
SCHEMBL14410850 1.00 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HTR3ATP53KMT2A
SCHEMBL14411543 1.00 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HTR3ATP53KMT2A
SCHEMBL5460350 0.98 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HTR3ATP53KMT2A
SCHEMBL5453740 0.89 HTR3A (0.51) SMN1; SMN2ALDH1A1HTR3ATP53CNR2
SCHEMBL5452918 0.88 HTR3A (0.49) HTR3ATP53CNR2OPRK1KCNH2
SCHEMBL5446583 0.88 CNR2 (0.41) SMN1; SMN2ALDH1A1HTR3ATP53KMT2A
SCHEMBL5451027 0.88 CNR2 (0.41) SMN1; SMN2ALDH1A1HTR3ATP53KMT2A
SCHEMBL5446726 0.88 PRPS1 (0.42) SMN1; SMN2ALDH1A1HTR3ATP53KMT2A
SCHEMBL5441869 0.87 PRPS1 (0.43) SMN1; SMN2ALDH1A1HTR3ATP53CNR2

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-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
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO 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 SMN1; SMN2 1701/4885ALDH1A1 2963/4885HTR3A 373/4885

“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.