SCHEMBL20487486

SCHEMBL20487486

O=C(O)c1cc2c(s1)C1(CCN(Cc3ccc(Cl)cc3Cl)CC1)OCC2

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.67
OPRL1 P41146 9/20 0.48
IP6K1 Q92551 1/20 0.45
CYP2A13 Q16696 1/20 0.45

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
SCHEMBL21710561 0.92 RORC (0.69) RORCOPRL1
SCHEMBL23192449 0.81 RORC (0.79) RORCOPRL1
SCHEMBL21681642 0.81 RORC (1.00) RORCOPRL1
SCHEMBL23192652 0.81 RORC (0.81) RORCOPRL1
SCHEMBL20487049 0.80 RORC (0.88) RORC
SCHEMBL23192667 0.70 RORC (0.80) RORCOPRL1
SCHEMBL21681638 0.70 RORC (1.00) RORCOPRL1
Hydrochloric Acid SCHEMBL20487529 0.70 RORC (0.73) RORCOPRL1
Hydrochloric Acid SCHEMBL20488255 0.69 RORC (0.62) RORCOPRL1
SCHEMBL20487525 0.69 RORC (0.45) RORCOPRL1

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
US-11008336-B2 Compounds useful for inhibiting RORγt ELI LILLY AND COMPANY (US) 2021-05-18 US disclosed
US-11008336-B2 Compounds useful for inhibiting RORγt ELI LILLY AND COMPANY (US) 2021-05-18 US disclosed
EP-3589638-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2021-04-07 EP disclosed
EP-3589638-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2021-04-07 EP disclosed
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY 2020-02-13 US disclosed
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY 2020-02-13 US disclosed
WO-2018160550-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY (US) 2018-09-07 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-11008336-B2 Compounds useful for inhibiting RORγt RORB, RORC, RORA RORC 2/4885OPRL1 1290/4885IP6K1 2075/4885
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T RORC, RORB, RORA RORC 1/4885OPRL1 2178/4885IP6K1 1923/4885

“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.