SCHEMBL30509028

SCHEMBL30509028

COc1cccc(C)c1N(C)C(=O)c1cc(-c2cnc(C(F)(F)F)cc2C#N)c(Cl)cc1OCCCCO

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 10/20 0.34
P2RX7 Q99572 2/20 0.32
SCN9A Q15858 1/20 0.32
EIF4EBP1 Q13541 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
S1PR4 O95977 1/20 0.31
SCD O00767 1/20 0.31

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
SCHEMBL3340518 1.00 GPBAR1 (0.34) GPBAR1P2RX7SCN9AEIF4EBP1CYP1A2
SCHEMBL30509037 0.93 GPBAR1 (0.33) GPBAR1P2RX7SCN9AEIF4EBP1CYP1A2
SCHEMBL3337468 0.93 GPBAR1 (0.33) GPBAR1P2RX7SCN9AEIF4EBP1CYP1A2
SCHEMBL3337450 0.92 GPBAR1 (0.36) GPBAR1P2RX7SCN9AEIF4EBP1CYP3A4
SCHEMBL3338981 0.91 GPBAR1 (0.33) GPBAR1P2RX7SCN9AEIF4EBP1
SCHEMBL4752977 0.90 S1PR4 (0.33) GPBAR1SCN9ACYP1A2CYP3A4CYP2D6
SCHEMBL3336740 0.90 GPBAR1 (0.32) GPBAR1SCN9AALDH1A1SLC22A12
SCHEMBL3333557 0.89 GPBAR1 (0.41) GPBAR1
SCHEMBL3342070 0.89 GPBAR1 (0.36) GPBAR1SCN9AALDH1A1S1PR4
SCHEMBL3336919 0.88 S1PR4 (0.33) GPBAR1SCN9AEIF4EBP1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282792-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2025-09-11 US disclosed
US-11713324-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2023-08-01 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 (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-20250282792-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR GPBAR1 76/4885P2RX7 793/4885SCN9A 2480/4885
US-11713324-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GPBAR1 76/4885P2RX7 793/4885SCN9A 2480/4885

“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.