SCHEMBL5521100

SCHEMBL5521100

Cc1ccc([C@H](C)C2(C(N)=O)CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
LMNA P02545 3/20 0.37
CYP2C19 P33261 1/20 0.36
ACHE P22303 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2B P18089 1/20 0.34
DRD3 P35462 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
CYP3A4 P08684 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
SCHEMBL6457653 0.86 HSD11B1 (0.39) SLC6A2SLC6A3ALDH1A1
SCHEMBL6922904 0.86 HSD11B1 (0.39) SLC6A2SLC6A3ALDH1A1
SCHEMBL6462324 0.86 HSD11B1 (0.39) SLC6A2SLC6A3ALDH1A1
SCHEMBL517632 0.85 ALOX5 (0.41) ALOX5LMNASLC6A2SLC6A4SLC6A3
SCHEMBL6923366 0.83 SLC6A4 (0.47) ALOX5LMNASLC6A2SLC6A4SLC6A3
SCHEMBL6457544 0.83 SLC6A4 (0.47) ALOX5LMNASLC6A2SLC6A4SLC6A3
SCHEMBL27925685 0.81 ACHE (0.39) ALOX5LMNACYP2C19ACHEHPGD
SCHEMBL6460103 0.81 TSHR (0.41) LMNAKMT2AALDH1A1
SCHEMBL6459963 0.81 TSHR (0.41) LMNAKMT2AALDH1A1
SCHEMBL15640766 0.75 CYP17A1 (0.41) CYP2C19SMN1; SMN2ALDH1A1CYP3A4

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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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 (2 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 ALOX5 1833/4885LMNA 2932/4885CYP2C19 317/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ALOX5 1614/4885LMNA 3391/4885CYP2C19 232/4885

“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.