SCHEMBL1907933

SCHEMBL1907933

OCCC1CCN(c2[c]scc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TYMP P19971 2/20 0.36
MAPT P10636 1/20 0.35
ESR2 Q92731 2/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
AKR1C3 P42330 2/20 0.33
LTA4H P09960 1/20 0.33
PIK3CA P42336 3/20 0.33
MTOR P42345 3/20 0.33
CYP11B2 P19099 1/20 0.32
CSF1R P07333 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADRB2 P07550 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
CYP2D6 P10635 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
SCHEMBL1608105 0.72 HRH3 (0.33) HRH3MAPTMEN1USP2KMT2A
SCHEMBL363125 0.70 TYMP (0.40) ACHEHRH3TYMPMAPTESR2
SCHEMBL3595162 0.69 ADRA2C (0.39) MAPTESR2DRD2ADRA2CDRD3
SCHEMBL18155147 0.68 MBTD1 (0.49) ACHEHRH3MAPTMMP3MMP8
SCHEMBL1607692 0.67 LMNA (0.41) HRH3MAPTPIK3CAMEN1USP2
SCHEMBL12419694 0.67 HRH4 (0.54) HRH3MAPTAKR1C3CHRM2DRD2
SCHEMBL20538760 0.67 ACHE (0.52) ACHEHRH3LTA4HOPRK1
SCHEMBL24319216 0.66 SLC6A2 (0.47) TYMPMAPTESR2AKR1C3USP2
SCHEMBL14924425 0.66 GPR119 (0.47) MAPTAKR1C3PIK3CAMTORMEN1
SCHEMBL8133600 0.66 HRH3 (0.50) HRH3MAPTDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493862-B1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS CORP (US) 2016-10-05 EP disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US disclosed
EP-2493862-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS Newlink Genetics Corporation (US) 2012-09-05 EP disclosed
WO-2011056652-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS (US) 2011-05-12 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 (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-20120277217-A1 Imidazole Derivatives as IDO Inhibitors IDO1, IDO2, INMT ACHE 901/4885HRH3 2289/4885TYMP 35/4885

“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.