SCHEMBL1948924

SCHEMBL1948924

CC(C)(CCNCc1ccccc1)CCOc1ccccc1-c1c[nH]cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.42
DRD2 P14416 9/20 0.42
DRD3 P35462 9/20 0.42
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IDO1 P14902 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ADRB2 P07550 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL1949867 0.81 MTNR1A (0.43) KDM4EALDH1A1IDO1CYP1A2CYP2C19
SCHEMBL1901426 0.81 IDO1 (0.46) KDM4EALDH1A1HTTIDO1KMT2A
SCHEMBL12544260 0.80 CYP4F2 (0.44) ALDH1A1IDO1TP53
SCHEMBL1951082 0.80 IDO1 (0.65) DRD4DRD2DRD3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1948572 0.79 CYP4F2 (0.43) ALDH1A1IDO1TP53
SCHEMBL1951357 0.79 IDO1 (0.58) MAPK1IDO1ADRB2TP53CYP1A2
SCHEMBL1950435 0.78 IDO1 (0.42) KDM4EALDH1A1MAPK1IDO1ADRB2
SCHEMBL1950475 0.78 IDO1 (0.42) KDM4EALDH1A1GAAIDO1KMT2A
SCHEMBL12544143 0.76 IDO1 (0.69) IDO1
SCHEMBL1907686 0.75 IDO1 (0.57) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US claimed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 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 (2 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-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT DRD4 1327/4885DRD2 1137/4885DRD3 1306/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT DRD4 1327/4885DRD2 1137/4885DRD3 1306/4885

“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.