SCHEMBL5451088

SCHEMBL5451088

COc1cccc2c(C#N)cn(CCCN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 4/20 0.44
DRD2 P14416 3/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
GRM2 Q14416 2/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL5451127 0.85 MEN1 (0.49) KMT2AMEN1LMNAMAPTDRD2
SCHEMBL5443150 0.82 CNR2 (0.50) KMT2AMEN1LMNAMAPTDRD2
SCHEMBL14411003 0.81 POLB (0.47) KMT2AMEN1LMNAMAPTDRD2
SCHEMBL5451117 0.81 POLB (0.47) KMT2AMEN1LMNAMAPTDRD3
SCHEMBL5451817 0.79 SMN1; SMN2 (0.48) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL5460377 0.79 SMN1; SMN2 (0.47) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL14463834 0.76 TSHR (0.51) KMT2AMEN1LMNAMAPTDRD2
SCHEMBL5446346 0.75 TSHR (0.53) KMT2AMEN1LMNAMAPTDRD2
SCHEMBL5440867 0.75 KDM4E (0.50) KMT2AMEN1LMNAMAPTDRD2
SCHEMBL5454256 0.75 TSHR (0.50) KMT2AMEN1LMNAMAPTDRD2

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 4 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
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO 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 KMT2A 4056/4885MEN1 2039/4885LMNA 3791/4885

“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.