SCHEMBL5451416

SCHEMBL5451416

CC(=O)c1cn(CCCN2CCN(CCOc3ccccc3)CC2)c2ncccc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HRH3 Q9Y5N1 4/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
CNR1 P21554 4/20 0.47
CNR2 P34972 4/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 3/20 0.46
PKM P14618 1/20 0.46
KCNA5 P22460 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL14411395 0.91 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HRH3DRD2DRD3
SCHEMBL5452543 0.88 ATM (0.52) ALDH1A1SMN1; SMN2DRD2DRD3CNR1
SCHEMBL5453001 0.83 CNR2 (0.47) ALDH1A1SMN1; SMN2CNR1CNR2
SCHEMBL5446909 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRL3MBTL1MAOB
SCHEMBL5446836 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TSHRL3MBTL1MAOB
SCHEMBL5455205 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TSHRL3MBTL1MAOB
SCHEMBL5446902 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TSHRL3MBTL1MAOB
SCHEMBL5476485 0.81 HRH3 (0.46) ALDH1A1SMN1; SMN2HRH3MAOB
SCHEMBL5446808 0.80 IDO1 (0.51) ALDH1A1HRH3DRD3L3MBTL1KCNA5
SCHEMBL5448848 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TSHRL3MBTL1MAOB

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 1701/4885HRH3 527/4885

“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.