SCHEMBL19212436

SCHEMBL19212436

CC(C)CN(CC(C)C)c1ccc(C2(C#N)CCCC2)cc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAP4K4 O95819 1/20 0.35
OPRM1 P35372 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL30783370 0.97 SLC6A4 (0.35) SLC6A4SLC6A3POLBCYP3A4CYP2D6
SCHEMBL19243481 0.97 SLC6A4 (0.35) SLC6A4SLC6A3POLBCYP3A4CYP2D6
SCHEMBL19212368 0.95 POLB (0.36) SLC6A4SLC6A3POLBCYP3A4CYP2D6
SCHEMBL19212378 0.89 NPSR1 (0.33) POLBCYP3A4CYP2D6NPSR1OPRM1
SCHEMBL21710308 0.89 POLB (0.33) POLBCYP3A4CYP2D6NPSR1OPRM1
SCHEMBL19212384 0.86 POLB (0.30) POLBCYP3A4CYP2D6NPSR1
SCHEMBL19212432 0.85 IDO1 (0.34) SLC6A4SLC6A3POLBCYP3A4CYP2D6
SCHEMBL21710228 0.84 POLB (0.31) POLBCYP3A4CYP2D6NPSR1
SCHEMBL19212398 0.83 SLC6A4 (0.32) SLC6A4SLC6A3POLBCYP3A4CYP2D6
SCHEMBL19212425 0.83 IDO1 (0.34) SLC6A4SLC6A3POLBCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11969425-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) INVENTISBIO LLC (US) 2024-04-30 US disclosed
CN-113896685-B Indoleamine-2, 3-dioxygenase (IDO) inhibitors 益方生物科技(上海)股份有限公司 2024-02-06 CN disclosed
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2023-10-26 US disclosed
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2023-10-26 US disclosed
EP-3414224-B1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC (US) 2022-03-23 EP disclosed
US-20220054486-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC (US) 2022-02-24 US disclosed
CN-113896685-A Indoleamine-2, 3-dioxygenase (IDO) inhibitors 益方生物科技(上海)股份有限公司 2022-01-07 CN disclosed
US-10980807-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) INVENTISBIO LLC (US) 2021-04-20 US disclosed
US-10980807-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) INVENTISBIO LLC (US) 2021-04-20 US disclosed
US-20200046697-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2020-02-13 US disclosed
US-20200046697-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2020-02-13 US disclosed
EP-3414224-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) Inventisbio Inc. (KY) 2018-12-19 EP disclosed
WO-2017139414-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO INC. (KY) 2017-08-17 WO disclosed
WO-2017139414-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO INC. (KY) 2017-08-17 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 (5 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-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT SLC6A4 554/4885SLC6A3 1034/4885POLB 1674/4885
US-11969425-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) IDO1, IDO2, INMT SLC6A4 554/4885SLC6A3 1034/4885POLB 1674/4885
US-20220054486-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT SLC6A4 554/4885SLC6A3 1034/4885POLB 1674/4885
US-20200046697-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT SLC6A4 554/4885SLC6A3 1034/4885POLB 1674/4885
US-10980807-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) IDO1, IDO2, INMT SLC6A4 554/4885SLC6A3 1034/4885POLB 1674/4885

“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.