SCHEMBL5651945

SCHEMBL5651945

c1ccc([C@H]2C[N]CCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ADRA2A P08913 5/20 0.40
KDM4E B2RXH2 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAOB P27338 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL1515349 1.00 TSHR (0.50) TSHRADRA2AKDM4EADORA3AR
SCHEMBL5651938 1.00 TSHR (0.50) TSHRADRA2AKDM4EADORA3AR
SCHEMBL7060296 0.82 CYP1A2 (0.32) TSHRCYP2C19
SCHEMBL4972142 0.81 MAOB (0.37) MAOB
SCHEMBL5652143 0.81 MAOB (0.37) MAOB
SCHEMBL4968605 0.81 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4
SCHEMBL4971432 0.81 CYP3A4 (0.37) ADORA3CYP19A1HSD17B10MEN1CYP2C19
SCHEMBL4971437 0.81 CYP3A4 (0.37) ADORA3CYP19A1HSD17B10MEN1CYP2C19
SCHEMBL5654186 0.81 MAOB (0.37) MAOBALDH1A1SMN1; SMN2
SCHEMBL4968601 0.81 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US claimed
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 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-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors PDE7A, PDE10A, PDE7B TSHR 3141/4885ADRA2A 1604/4885KDM4E 2365/4885

“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.