SCHEMBL24295403

SCHEMBL24295403

COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 1.00
CYP3A4 P08684 11/20 0.90
ADRB2 P07550 1/20 0.77
APLNR P35414 1/20 0.77
OPRK1 P41145 1/20 0.77
GLP1R P43220 1/20 0.77
CX3CR1 P49238 1/20 0.77
FFAR4 Q5NUL3 1/20 0.77
GPR119 Q8TDV5 1/20 0.77

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
SCHEMBL12727261 0.96 GNRHR (1.00) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL19759864 0.95 GNRHR (0.90) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL29396002 0.94 GNRHR (1.00) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL29365599 0.94 GNRHR (1.00) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL4677617 0.94 GNRHR (1.00) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL19549512 0.94 GNRHR (1.00) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL1642523 0.94 GNRHR (1.00) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL1641993 0.93 GNRHR (0.99) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL1641996 0.93 GNRHR (0.99) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL23958943 0.90 GNRHR (0.89) GNRHRCYP3A4ADRB2APLNROPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220117969-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ADENOMYOSIS AND RECTOVAGINAL ENDOMETRIOSIS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2022-04-21 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 (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-20220117969-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ADENOMYOSIS AND RECTOVAGINAL ENDOMETRIOSIS GNRHR, PGR, NR5A1 GNRHR 1/4885CYP3A4 4337/4885ADRB2 320/4885

“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.