SCHEMBL3522663

SCHEMBL3522663

Cc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccccc3C3CCNCC3F)C(=O)O2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
OPRM1 P35372 1/20 0.34
ACKR3 P25106 1/20 0.34
PKM P14618 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOB P27338 4/20 0.33
MAOA P21397 3/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
CALML3 P27482 1/20 0.33
SDHA P31040 1/20 0.33
F10 P00742 3/20 0.32
CHRM1 P11229 1/20 0.32
SSTR4 P31391 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL3523459 0.92 L3MBTL1 (0.35) TSHRPKMALDH1A1MAOBMAOA
SCHEMBL3524012 0.87 F10 (0.36) ALDH1A1HTTNPSR1MAOBMAOA
SCHEMBL3521790 0.87 ALDH1A1 (0.35) ACKR3ALDH1A1MAOBF10CHRM1
SCHEMBL6823337 0.86 PARP1 (0.35) MAOBF10CHRM1
SCHEMBL3526042 0.86 PARP1 (0.35) MAOBF10CHRM1
SCHEMBL3525596 0.86 F10 (0.38) TSHRF10CHRM1NPC1RAB9A
SCHEMBL3525099 0.85 GRM2 (0.37) OPRM1ALDH1A1MAPTHTTLMNA
SCHEMBL6822916 0.85 F10 (0.40) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3524540 0.85 F10 (0.40) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3522293 0.84 F10 (0.41) ALDH1A1MAPTMAOBF10MEN1

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-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US claimed
US-20050192275-A1 Novel antimycobacterial compounds LUPIN LIMITED (IN) 2005-09-01 US claimed
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US disclosed
US-20050192275-A1 Novel antimycobacterial compounds LUPIN LIMITED (IN) 2005-09-01 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-20050192275-A1 Novel antimycobacterial compounds MDH1, IMMT, MLYCD TSHR 3344/4885OPRM1 3048/4885ACKR3 3724/4885

“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.