SCHEMBL5452624

SCHEMBL5452624

CCCOC1CCN(CCCn2cc(C(C)=O)c3ccc(Br)cc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 2/20 0.45
CNR1 P21554 6/20 0.42
ACHE P22303 1/20 0.40
HTR4 Q13639 1/20 0.40
HRH2 P25021 3/20 0.40
CNR2 P34972 8/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL5456124 0.93 CNR2 (0.46) CNR1ACHEHTR4HRH2CNR2
SCHEMBL14463865 0.89 SMN1; SMN2 (0.40) CNR1HRH2CNR2SMN1; SMN2ALDH1A1
SCHEMBL5448665 0.88 CNR2 (0.49) CNR1HRH2CNR2SMN1; SMN2ALDH1A1
SCHEMBL5443271 0.86 SMN1; SMN2 (0.55) CNR1HRH2CNR2SMN1; SMN2ALDH1A1
SCHEMBL5448593 0.85 ACHE (0.50) PRPS1CNR1ACHEHTR4HRH2
SCHEMBL14411094 0.84 CNR2 (0.46) CNR1ACHEHTR4HRH2CNR2
SCHEMBL5444562 0.83 CCR1 (0.45) PRPS1CNR1HRH2CNR2SMN1; SMN2
SCHEMBL5452607 0.83 PRPS1 (0.43) PRPS1CNR1CNR2SMN1; SMN2ALDH1A1
SCHEMBL5461402 0.81 PRPS1 (0.42) PRPS1CNR1HTR4HRH2CNR2
SCHEMBL5460523 0.80 CREBBP (0.52) CNR1CNR2SMN1; SMN2ALDH1A1KMT2A

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 PRPS1 4276/4885CNR1 65/4885ACHE 3240/4885

“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.