SCHEMBL5523326

SCHEMBL5523326

NC(=O)C1(Cc2cccc(I)c2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
RAB9A P51151 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 2/20 0.39
MAPK8 P45983 1/20 0.38
HTR2B P41595 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TSHR P16473 1/20 0.35
FAAH O00519 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL27761563 0.81 AKR1B1 (0.41) CYP1A2CYP2C19THPOHIF1ALMNA
SCHEMBL2864888 0.81 MAOA (0.46) CYP2D6RAB9ALMNATSHRMAOA
SCHEMBL21937692 0.81 L3MBTL1 (0.48) LMNAL3MBTL1HSD11B1
SCHEMBL6244722 0.79 MAOA (0.47) CYP2D6RAB9ALMNATSHRMAOA
SCHEMBL5526973 0.79 SLC6A4 (0.50) CYP2C19SMN1; SMN2MAOB
SCHEMBL5530347 0.79 MEN1 (0.50) RAB9ALMNAL3MBTL1
SCHEMBL5392708 0.78 MEN1 (0.46) SMN1; SMN2IDO1MAOBL3MBTL1
SCHEMBL28475617 0.76 MAOA (0.47) CYP2D6RAB9ALMNASMN1; SMN2TSHR
SCHEMBL30848530 0.75 HCRTR1 (0.42) MAOAMAOB
SCHEMBL6922933 0.75 GAA (0.50) CYP2D6CYP2C19RAB9ALMNASMN1; SMN2

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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 CYP1A2 407/4885CYP2D6 883/4885CYP2C19 317/4885

“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.