SCHEMBL6458230

SCHEMBL6458230

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ HRH1 P35367 1/20 0.51
▸ MCHR1 Q99705 1/20 0.51
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM1A O60341 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ TAS1R3 Q7RTX0 2/20 0.43
▸ TAS1R1 Q7RTX1 2/20 0.43
▸ TAS1R2 Q8TE23 2/20 0.43
▸ STS P08842 1/20 0.43
▸ CCRL2 O00421 1/20 0.42
▸ TACR2 P21452 2/20 0.41
▸ TACR1 P25103 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CACNA1I Q9P0X4 1/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ BTK Q06187 1/20 0.41

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
SCHEMBL3891464 0.87 KCNH2 (0.56) ADRA2AADRA1AMCHR1KCNH2CACNA1I
SCHEMBL6463382 0.87 KCNH2 (0.56) ADRA2AADRA1AMCHR1KCNH2CACNA1I
SCHEMBL3891466 0.87 KCNH2 (0.56) ADRA2AADRA1AMCHR1KCNH2CACNA1I
SCHEMBL24512915 0.84 KDM1A (0.44) ADRA2AADRA1AHRH1MCHR1KDM1A
SCHEMBL29665851 0.84 KDM1A (0.44) ADRA2AADRA1AHRH1MCHR1KDM1A
SCHEMBL6459453 0.79 CCR2 (0.57) ADRA2AADRA1AHRH1MCHR1CCR2
SCHEMBL6459448 0.79 CCR2 (0.57) ADRA2AADRA1AHRH1MCHR1CCR2
SCHEMBL14528538 0.79 CES2 (0.47) STSTACR1HDAC4HDAC6GAA
SCHEMBL30590313 0.79 TAS1R3 (0.56) KDM1AMAOBTAS1R3TAS1R1TAS1R2
SCHEMBL4167585 0.78 NPC1 (0.60) ADRA2AADRA1AHRH1MCHR1MEN1

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-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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ADRA2A 117/4885ADRA1A 209/4885HRH1 54/4885

“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.

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