SCHEMBL5459210

SCHEMBL5459210

COc1ccc(NC(=O)N2CCN(c3ccc4c(c3)CCN(C3CCC3)CC4)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
CA12 O43570 4/20 0.53
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA9 Q16790 4/20 0.53
PTPN7 P35236 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HTR1A P08908 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
CCR2 P41597 1/20 0.51
NAMPT P43490 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL5461554 0.90 POLB (0.60) MAPTCA12CA1CA2CA9
SCHEMBL5451342 0.87 CA12 (0.56) MAPTCA12CA1CA2CA9
SCHEMBL5458802 0.87 CA12 (0.56) MAPTCA12CA1CA2CA9
SCHEMBL5464346 0.87 FAAH (0.55) MAPTCA12CA1CA2CA9
SCHEMBL5466133 0.86 MAPT (0.57) MAPTSMN1; SMN2HTR1ANPC1RAB9A
SCHEMBL5464234 0.85 SMN1; SMN2 (0.51) MAPTSMN1; SMN2GAACCR2NAMPT
SCHEMBL5461558 0.83 KDM4E (0.58) MAPTLMNAGAAHRH3KMT2A
SCHEMBL4768450 0.83 HRH3 (0.57) MAPTSMN1; SMN2NPC1RAB9AHRH3
SCHEMBL4772344 0.81 MAPT (0.58) MAPTCA12CA1CA2CA9
SCHEMBL5454869 0.81 GFER (0.58) MAPTSMN1; SMN2GAAHSD17B10HTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US claimed

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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B MAPT 1504/4885CA12 1723/4885CA1 1515/4885

“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.