SCHEMBL5448709

SCHEMBL5448709

COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CNR2 P34972 3/20 0.44
UBE2M P61081 3/20 0.43
DCUN1D1 Q96GG9 3/20 0.43
ALDH1A1 P00352 2/20 0.42
GALR3 O60755 1/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 3/20 0.42
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL14464425 0.91 LMNA (0.46) MAPTLMNASMN1; SMN2UBE2MDCUN1D1
SCHEMBL14410852 0.88 MAPT (0.49) MAPTLMNASMN1; SMN2CNR2UBE2M
SCHEMBL5446468 0.88 LMNA (0.48) MAPTLMNASMN1; SMN2CNR2UBE2M
SCHEMBL14411854 0.88 MAPT (0.42) MAPTLMNASMN1; SMN2CNR2UBE2M
SCHEMBL5448465 0.87 LMNA (0.49) MAPTLMNASMN1; SMN2CNR2UBE2M
SCHEMBL5452486 0.87 LMNA (0.47) MAPTLMNASMN1; SMN2CNR2UBE2M
SCHEMBL5454189 0.87 MAPT (0.50) MAPTLMNASMN1; SMN2CNR2UBE2M
SCHEMBL5443136 0.86 UBE2M (0.48) MAPTLMNASMN1; SMN2CNR2UBE2M
SCHEMBL5454738 0.85 CNR2 (0.50) CNR2KMT2A
SCHEMBL5396542 0.81 CNR2 (0.51) MAPTCNR2ALDH1A1

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 MAPT 4523/4885LMNA 3791/4885SMN1; SMN2 1701/4885

“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.