SCHEMBL5448703

SCHEMBL5448703

CC(=O)c1cn(CCCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NR2F2 P24468 1/20 0.48
CREBBP Q92793 4/20 0.47
CNR2 P34972 6/20 0.46
CNR1 P21554 3/20 0.45
HTR3A P46098 1/20 0.45
HRH2 P25021 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL14410848 0.98 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AALDH1A1MAPTNPSR1
Hydrochloric Acid SCHEMBL5455004 0.97 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AALDH1A1MAPTNPSR1
SCHEMBL14411153 0.89 KMT2A (0.50) KMT2AALDH1A1MAPTNPSR1CNR2
SCHEMBL14464444 0.88 PTPN7 (0.48) ALDH1A1MAPTNPSR1CNR2CNR1
SCHEMBL5460659 0.88 PRPS1 (0.45) SMN1; SMN2KMT2ACNR2CNR1
SCHEMBL5441698 0.87 HRH2 (0.46) SMN1; SMN2KMT2AALDH1A1MAPTNPSR1
SCHEMBL14463990 0.87 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AALDH1A1MAPTNPSR1
SCHEMBL5461402 0.87 PRPS1 (0.42) SMN1; SMN2KMT2AALDH1A1MAPTNPSR1
SCHEMBL5462877 0.87 HRH2 (0.47) SMN1; SMN2KMT2AALDH1A1MAPTNPSR1
SCHEMBL5462884 0.87 CNR2 (0.46) SMN1; SMN2KMT2AALDH1A1MAPTNPSR1

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 SMN1; SMN2 1701/4885KMT2A 4056/4885ALDH1A1 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.