SCHEMBL1506697

SCHEMBL1506697

O=C1CCC(c2ccc(F)c(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.49
CYP2D6 P10635 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
ABCC9 O60706 2/20 0.38
ABCC8 Q09428 2/20 0.38
KCNJ11 Q14654 2/20 0.38
KCNJ8 Q15842 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 3/20 0.38
HTR7 P34969 1/20 0.38
SRD5A1 P18405 1/20 0.37

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
SCHEMBL31342442 0.86 ESR2 (0.49) ESR2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL20010618 0.86 ESR2 (0.49) ESR2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL15517647 0.85 SLC6A2 (0.56) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22817119 0.84 ESR2 (0.53) ESR2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL8835221 0.84 ESR2 (0.53) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL15516727 0.82 SLC6A4 (0.53) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL27734625 0.80 SLC6A4 (0.51) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
Cyanide SCHEMBL27810649 0.80 SLC6A2 (0.51) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL11820336 0.79 SLC6A2 (0.48) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29186871 0.79 ESR2 (0.49) ESR2SLC6A2SLC6A4SLC6A3PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952300-B 5-or 8-substituted imidazo [1,5-a ] pyridines 百济神州有限公司 2022-01-18 CN disclosed
US-10882856-B2 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases BEIGENE, LTD. (KY) 2021-01-05 US disclosed
US-10882856-B2 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases BEIGENE, LTD. (KY) 2021-01-05 US disclosed
WO-2018054365-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2018-03-29 WO disclosed
WO-2018028491-A1 INDOLEAMINE2,3-DIOXYGENASE INHIBITORS AND USES THEREOF IN PHARMACY 苏州国匡医药科技有限公司 2018-02-15 WO disclosed
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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 (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-10882856-B2 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases IDO1, TPH1, IDO2 ESR2 4151/4885CYP2D6 138/4885SLC6A2 433/4885
US-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP ESR2 972/4885CYP2D6 1439/4885SLC6A2 4414/4885

“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.