SCHEMBL1949401

SCHEMBL1949401

CC(C)(CCOc1ccccc1-c1c[nH]cn1)CCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
USP2 O75604 1/20 0.45
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRD4 O60885 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
CYP2D6 P10635 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL12676466 0.88 KDM4E (0.58) KDM4EUSP2POLBL3MBTL1BRD4
SCHEMBL1901426 0.81 IDO1 (0.46) KDM4EPOLBSMN1; SMN2IDO1
SCHEMBL1951357 0.79 IDO1 (0.58) BRD4CYP1A2CYP2C19IDO1
SCHEMBL12544260 0.78 CYP4F2 (0.44) USP2SMN1; SMN2IDO1
SCHEMBL1903225 0.77 KDM4E (0.49) KDM4EPOLBTDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL1948572 0.77 CYP4F2 (0.43) USP2SMN1; SMN2IDO1
SCHEMBL1950475 0.76 IDO1 (0.42) KDM4EIDO1
SCHEMBL12544143 0.76 IDO1 (0.69) IDO1
SCHEMBL1950435 0.76 IDO1 (0.42) KDM4EUSP2L3MBTL1TSHRIDO1
SCHEMBL1948924 0.74 DRD4 (0.42) KDM4EDRD4CYP2D6TDP1TSHR

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 13 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-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-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-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
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 KDM4E 271/4885USP2 2175/4885POLB 2996/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT KDM4E 271/4885USP2 2175/4885POLB 2996/4885

“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.