SCHEMBL3744574

SCHEMBL3744574

N#Cc1ccc(OCCN2CCCCC2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
MCHR1 Q99705 1/20 0.56
LTA4H P09960 2/20 0.56
HRH3 Q9Y5N1 5/20 0.55
SCN7A Q01118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CACNA1F O60840 2/20 0.46
CACNA1D Q01668 2/20 0.46
CACNA1S Q13698 2/20 0.46
CACNA1C Q13936 2/20 0.46
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL3740569 0.87 ALDH1A1 (0.59) TSHRMCHR1LTA4HHRH3SMN1; SMN2
SCHEMBL14233388 0.79 TSHR (0.64) TSHRMCHR1LTA4HSMN1; SMN2CYP1A2
SCHEMBL9912418 0.79 SMN1; SMN2 (0.74) TSHRLTA4HSMN1; SMN2L3MBTL1CACNA1F
SCHEMBL227297 0.78 HRH3 (0.85) LTA4HHRH3SCN7AHRH2HRH1
SCHEMBL2329109 0.77 ALDH1A1 (0.67) TSHRLTA4HSMN1; SMN2CYP1A2CYP2D6
SCHEMBL1024536 0.77 TSHR (0.61) TSHRMCHR1LTA4HSMN1; SMN2CYP1A2
SCHEMBL19582199 0.77 TSHR (0.61) TSHRMCHR1LTA4HSMN1; SMN2CYP1A2
SCHEMBL12726118 0.77 SMN1; SMN2 (0.71) TSHRLTA4HSMN1; SMN2CYP1A2CYP2D6
SCHEMBL4874490 0.76 HRH3 (0.82) LTA4HHRH3HRH2HRH1PTGS2
SCHEMBL10728257 0.76 MRGPRX4 (0.49) TSHRSMN1; SMN2CYP1A2CYP2D6CYP2C19

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-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 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-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 TSHR 1235/4885MCHR1 899/4885LTA4H 514/4885

“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.