SCHEMBL5453565

SCHEMBL5453565

CC(=O)c1cn(CCCN2CCN(C(C)c3ccccc3)CC2)c2ccc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RX7 Q99572 3/20 0.41
CREBBP Q92793 1/20 0.41
CNR2 P34972 6/20 0.41
CNR1 P21554 2/20 0.41
KRAS P01116 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HRH2 P25021 1/20 0.40
CFD P00746 1/20 0.40
PLK1 P53350 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL5446506 0.93 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2P2RX7CREBBPCNR2
SCHEMBL5462921 0.88 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2P2RX7CREBBPCNR2
SCHEMBL5489063 0.87 CNR2 (0.47) ALDH1A1SMN1; SMN2P2RX7CNR2CNR1
SCHEMBL14411259 0.86 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2P2RX7CREBBPCNR2
SCHEMBL5454089 0.83 CNR2 (0.47) ALDH1A1SMN1; SMN2CREBBPCNR2CNR1
SCHEMBL5451923 0.79 KCNH2 (0.51) ALDH1A1SMN1; SMN2CREBBPCNR2CNR1
SCHEMBL5452999 0.79 KMT2A (0.52) P2RX7CNR2CNR1PLK1
SCHEMBL5451287 0.79 L3MBTL1 (0.54) SMN1; SMN2P2RX7CNR2CNR1PLK1
SCHEMBL14464406 0.78 CNR2 (0.42) P2RX7CNR2CNR1
SCHEMBL5455250 0.78 CNR2 (0.48) ALDH1A1SMN1; SMN2P2RX7CNR2CNR1

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 ALDH1A1 2963/4885SMN1; SMN2 1701/4885P2RX7 809/4885

“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.