SCHEMBL8535869

SCHEMBL8535869

CC(C)(C)OC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.60
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.56
LMNA P02545 2/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
SIGMAR1 Q99720 2/20 0.51
TACR1 P25103 1/20 0.51
CACNA1G O43497 1/20 0.50
PHGDH O43175 1/20 0.50
HTT P42858 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
GLS O94925 1/20 0.49
MGLL Q99685 1/20 0.49

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
SCHEMBL3258064 0.96 KDM4E (0.58) FAAHKDM4EALDH1A1GAALMNA
SCHEMBL30525140 0.93 FAAH (0.53) FAAHKDM4EALDH1A1GAALMNA
SCHEMBL13216758 0.90 MEN1 (0.51) FAAHKDM4EALDH1A1KMT2AMEN1
SCHEMBL13236926 0.86 GLS (0.54) KDM4EALDH1A1LMNAKMT2AHTT
SCHEMBL8536087 0.85 CYP2D6 (0.61) FAAHKDM4EALDH1A1LMNAKMT2A
SCHEMBL5546576 0.85 L3MBTL1 (0.62) FAAHKDM4EALDH1A1SIGMAR1MGLL
SCHEMBL20151867 0.84 TSHR (0.58) ALDH1A1TACR1MGLL
SCHEMBL2194827 0.84 KDM1A (0.57) KDM4EALDH1A1HTTGLSMGLL
SCHEMBL4837787 0.84 GLS (0.54) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL8540779 0.84 ALDH1A1 (0.63) FAAHKDM4EALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US claimed
CN-113461640-B LPAR1 inhibitor, medical application and preparation method thereof 中央民族大学 2023-08-11 CN disclosed
CN-113461640-A LPAR1 inhibitor, medical application and preparation method thereof 中央民族大学 2021-10-01 CN disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 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-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 FAAH 1856/4885KDM4E 4818/4885ALDH1A1 3771/4885

“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.