Sugi Predict

Sugi Predict / Compounds / SCHEMBL7529705

SCHEMBL7529705

SCHEMBL7529705

CC(=O)C1NCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ DRD1 P21728 4/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ DRD4 P21917 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 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
SCHEMBL23135231 1.00 TSHR (0.47) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL27632988 0.85 TSHR (0.50) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL30229974 0.83 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL17231978 0.83 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL21689895 0.83 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL186825 0.83 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL30230052 0.83 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL9608966 0.83 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL9637870 0.82 TSHR (0.71) TSHRNPSR1SLC6A2SLC6A4MAPT
SCHEMBL12571281 0.82 TSHR (0.71) TSHRNPSR1SLC6A2SLC6A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021062246-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-04-01 — — WO disclosed
EP-2738170-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-08-30 — — EP disclosed
US-9156837-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 — — US disclosed
US-20140163001-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-12 — — US disclosed
EP-2738170-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-06-04 — — EP disclosed
EP-1177171-A1 SUBSTITUTED INDOLE SULFONAMIDES AS ANTIVIRAL AGENTS Bayer Aktiengesellschaft (DE) 2002-02-06 — — EP disclosed
WO-2000066553-A1 SUBSTITUTED INDOLE SULFONAMIDES AS ANTIVIRAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2000-11-09 — — 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 (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-20140163001-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA TSHR 512/4885NPSR1 842/4885SLC6A2 3818/4885

“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.