SCHEMBL5448762

SCHEMBL5448762

CC(=O)c1cn(CCCN2CCN(CCN(C(C)C)C(C)C)CC2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 1/20 0.53
CREBBP Q92793 3/20 0.52
CNR2 P34972 6/20 0.51
KAT2B Q92831 1/20 0.50
CNR1 P21554 4/20 0.47
PRMT5 O14744 1/20 0.46
NR2F2 P24468 1/20 0.46
PLK1 P53350 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NOD2 Q9HC29 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
SCHEMBL5453757 0.89 NR4A2 (0.54) SMN1; SMN2ALDH1A1KMT2ACNR2CNR1
SCHEMBL5457612 0.86 CNR2 (0.46) SMN1; SMN2ALDH1A1KMT2ACNR2CNR1
SCHEMBL5418358 0.84 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KMT2ACREBBPCNR2
SCHEMBL5450086 0.83 CNR2 (0.62) SMN1; SMN2ALDH1A1KMT2ACREBBPCNR2
SCHEMBL5462921 0.82 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KMT2ACREBBPCNR2
SCHEMBL5448205 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KMT2ACREBBPCNR2
SCHEMBL5454706 0.81 DRD3 (0.60) SMN1; SMN2ALDH1A1KMT2ACREBBPCNR2
SCHEMBL5453696 0.81 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KMT2ACREBBPCNR2
SCHEMBL5454647 0.81 CNR2 (0.74) SMN1; SMN2ALDH1A1CREBBPCNR2CNR1
SCHEMBL5451254 0.80 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KMT2ACREBBPCNR2

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 1701/4885ALDH1A1 2963/4885KMT2A 4056/4885

“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.