Sugi Predict

Sugi Predict / Compounds / SCHEMBL1970494

SCHEMBL1970494

SCHEMBL1970494

O=C1OC[C@@H](Cc2ccccc2)N1C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.46
▸ DRD2 P14416 3/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ MC4R P32245 5/20 0.40
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ SLC6A4 P31645 1/20 0.37
▸ FAAH O00519 1/20 0.36

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
SCHEMBL1970969 1.00 RORC (0.46) RORCDRD2DRD3MC4RGRIN2D
SCHEMBL5730641 1.00 RORC (0.46) RORCDRD2DRD3MC4RGRIN2D
SCHEMBL7836904 0.93 RORC (0.47) RORCDRD2DRD3MC4RSIGMAR1
SCHEMBL7972580 0.93 RORC (0.47) RORCDRD2DRD3MC4RSIGMAR1
SCHEMBL7836897 0.93 RORC (0.47) RORCDRD2DRD3MC4RSIGMAR1
SCHEMBL23951605 0.93 RORC (0.47) RORCDRD2DRD3MC4RSIGMAR1
SCHEMBL6106312 0.93 RORC (0.47) RORCDRD2DRD3MC4RSIGMAR1
SCHEMBL8094092 0.93 RORC (0.47) RORCDRD2DRD3MC4RSIGMAR1
SCHEMBL6105682 0.93 RORC (0.47) RORCDRD2DRD3MC4RSIGMAR1
SCHEMBL7494189 0.93 RORC (0.47) RORCDRD2DRD3MC4RSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118878514-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2024-11-01 — — CN disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 — — US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 — — US disclosed
EP-2336105-B9 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
EP-2336105-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-02-12 — — EP disclosed
US-8592454-B2 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 — — US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 — — US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 — — EP 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 (1 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B RORC 3261/4885DRD2 135/4885DRD3 188/4885

“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.