SCHEMBL6401506

SCHEMBL6401506

Cc1ccc(C2(C(C)(C)C)OCCO2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.35
MAOA P21397 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 1/20 0.35
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL11875611 0.89 TEAD4 (0.40) ACHETDP1SLC6A4KCNH2
SCHEMBL3987895 0.82 TAAR1 (0.35)
SCHEMBL11736293 0.77 SMN1; SMN2 (0.40) L3MBTL1TDP1
SCHEMBL11740144 0.76 NOS3 (0.36)
SCHEMBL11863652 0.74 LTA4H (0.41) MAOBMAOATSHRL3MBTL1
SCHEMBL11860662 0.74 MAOA (0.40) MAOBMAOASLC6A2SLC6A3SLC6A4
SCHEMBL15908233 0.73 MAOB (0.40) MAOBMAOASLC6A2SLC6A3CHRNA1
SCHEMBL2082178 0.71 LMNA (0.42) MAOBMAOASLC6A2SLC6A3CHRNA1
SCHEMBL11877787 0.70 NPC1 (0.37)
SCHEMBL14081492 0.67 OPRM1 (0.42) TSHRL3MBTL1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014732-A1 Combination of an aldosterone receptor antagonist and an anti-diabetic agent PHARMACIA CORPORATION (US) 2005-01-20 US disclosed
EP-0641319-A1 N- N'-(5-AMINO-4-HYDROXY-ACYLOYL)-$g(a)-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS Pfizer Limited (GB) 1995-03-08 EP disclosed
WO-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 WO disclosed
EP-0104572-A1 Benzyl ethers of phenol Mannich bases, process for their production, their use and pharmaceutical preparations based on these compounds, intermediates and process for their production HOECHST AKTIENGESELLSCHAFT (DE) 1984-04-04 EP 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-20050014732-A1 Combination of an aldosterone receptor antagonist and an anti-diabetic agent NR3C2, REN, AGTR1 MAOB 4027/4885MAOA 4138/4885SLC6A2 1842/4885

“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.