SCHEMBL5448708

SCHEMBL5448708

COCC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 1/20 0.54
CNR2 P34972 5/20 0.53
CREBBP Q92793 5/20 0.51
CNR1 P21554 4/20 0.49
NPSR1 Q6W5P4 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
HTR4 Q13639 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.47
PKM P14618 1/20 0.47
NR2F2 P24468 1/20 0.47

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
SCHEMBL5463523 0.88 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KMT2ACNR2CREBBP
SCHEMBL14463824 0.85 CNR2 (0.57) SMN1; SMN2ALDH1A1KMT2ACNR2CREBBP
SCHEMBL14411640 0.85 HTR7 (0.58) SMN1; SMN2ALDH1A1CNR2CREBBP
SCHEMBL5335371 0.85 CHRM1 (0.53) SMN1; SMN2ALDH1A1KMT2ACNR2CREBBP
SCHEMBL5453696 0.84 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KMT2ACNR2CREBBP
SCHEMBL5454980 0.83 CNR2 (0.52) SMN1; SMN2ALDH1A1KMT2ACNR2CREBBP
SCHEMBL5462715 0.83 CNR2 (0.51) SMN1; SMN2ALDH1A1KMT2ACNR2CREBBP
SCHEMBL5454517 0.83 CNR2 (0.54) SMN1; SMN2ALDH1A1KMT2ACNR2CREBBP
SCHEMBL5451025 0.83 HTR7 (0.61) SMN1; SMN2ALDH1A1CNR2CREBBP
SCHEMBL5446586 0.83 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KMT2ACNR2CREBBP

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.