SCHEMBL18826850

SCHEMBL18826850

CCOC(=O)C=C1CCC(c2ccnc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.53
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
NR3C2 P08235 1/20 0.43
FAP Q12884 1/20 0.38
AR P10275 2/20 0.38
KDM4E B2RXH2 3/20 0.38
CAMKK1 Q8N5S9 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
PTK2B Q14289 1/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 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
SCHEMBL22274820 0.87 ESR2 (0.51) ESR2JAK2JAK1NR3C2FAP
SCHEMBL19555643 0.85 ESR2 (0.49) ESR2JAK2JAK1
SCHEMBL22568444 0.84 ESR2 (0.50) ESR2JAK2JAK1CAMKK1CAMKK2
SCHEMBL22568435 0.83 ESR2 (0.49) ESR2JAK2JAK1
SCHEMBL22568428 0.82 ESR2 (0.48) ESR2JAK2JAK1CAMKK1CAMKK2
SCHEMBL22568312 0.81 ESR2 (0.47) ESR2JAK2JAK1KDM4ESMN1; SMN2
SCHEMBL22568400 0.81 ESR2 (0.47) ESR2JAK2JAK1KDM4EL3MBTL1
SCHEMBL22568421 0.81 ESR2 (0.47) ESR2JAK2JAK1CAMKK1CAMKK2
SCHEMBL21146292 0.79 NR3C2 (0.46) NR3C2KDM4EL3MBTL1SMN1; SMN2TP53
SCHEMBL19277384 0.79 NR3C2 (0.46) NR3C2KDM4EL3MBTL1SMN1; SMN2TP53

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
US-11111230-B2 Indoleamine 2,3-dioxygenase inhibitors and use of same in medicine ADLAI NORTYE BIOPHARMA CO., LTD. (CN) 2021-09-07 US disclosed
US-20200331887-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS AND USE OF SAME IN MEDICINE XIAMEN BIOTIME BIOTECHNOLOGY CO., LTD. (CN) 2020-10-22 US disclosed
US-20190002472-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2019-01-03 US disclosed
US-20170197973-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-07-13 US disclosed
US-9643972-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-05-09 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 (4 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-20200331887-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS AND USE OF SAME IN MEDICINE IDO1, IDO2, INMT ESR2 2748/4885JAK2 922/4885JAK1 952/4885
US-20190002472-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT ESR2 1493/4885JAK2 1134/4885JAK1 1436/4885
US-11111230-B2 Indoleamine 2,3-dioxygenase inhibitors and use of same in medicine IDO1, IDO2, INMT ESR2 2748/4885JAK2 922/4885JAK1 952/4885
US-20170197973-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT ESR2 1493/4885JAK2 1134/4885JAK1 1436/4885

“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.