SCHEMBL2074046

SCHEMBL2074046

COc1ccc(N2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.56
NEK2 P51955 1/20 0.54
NAAA Q02083 1/20 0.53
NOTUM Q6P988 3/20 0.53
AKR1C3 P42330 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
GFER P55789 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
ADRB1 P08588 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
SLC18A3 Q16572 1/20 0.51

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
SCHEMBL8125365 0.86 ALDH1A1 (0.60) GAAL3MBTL1NAAAAKR1C3SMN1; SMN2
SCHEMBL21552709 0.83 L3MBTL1 (0.51) GAAL3MBTL1NAAANOTUMAKR1C3
SCHEMBL5798727 0.83 NOTUM (0.59) GAANEK2NOTUMSMN1; SMN2MAPT
SCHEMBL25403278 0.82 USP2 (0.56) GAANEK2NOTUMSMN1; SMN2MAPT
SCHEMBL21544697 0.82 GAA (0.50) GAAL3MBTL1NAAANOTUMAKR1C3
SCHEMBL2070467 0.81 NOTUM (0.57) GAANOTUMAKR1C3MAPTHTT
SCHEMBL22629181 0.81 ALDH1A1 (0.60) GAANOTUMAKR1C3SMN1; SMN2MAPT
SCHEMBL3139067 0.81 MAPT (0.67) GAAL3MBTL1SMN1; SMN2MAPTALDH1A1
SCHEMBL31381181 0.80 FFAR4 (0.55) GAANOTUMAKR1C3ALDH1A1HTT
SCHEMBL12717115 0.80 FFAR4 (0.72) NOTUMFFAR4CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649212-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-16 US disclosed
US-20210206723-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-07-08 US disclosed
WO-2019074822-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-18 WO disclosed
US-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators GLAXO GROUP LIMITED (GB) 2011-03-10 US disclosed
EP-1660481-A1 PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-05-31 EP disclosed
WO-2005016915-A1 PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-02-24 WO 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 (3 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-11649212-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT GAA 751/4885L3MBTL1 4653/4885NEK2 1858/4885
US-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators TRPV1, CNR1, OPRM1 GAA 3242/4885L3MBTL1 4854/4885NEK2 3300/4885
US-20210206723-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT GAA 751/4885L3MBTL1 4653/4885NEK2 1858/4885

“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.