SCHEMBL2268431

SCHEMBL2268431

CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ccc(C(=O)O)cc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.61
GABRD O14764 1/20 0.61
GABRA1 P14867 1/20 0.61
GABRB1 P18505 1/20 0.61
GABRG2 P18507 1/20 0.61
GABRB3 P28472 1/20 0.61
GABRA5 P31644 1/20 0.61
GABRA3 P34903 1/20 0.61
GABRA2 P47869 1/20 0.61
GABRB2 P47870 1/20 0.61
GABRA4 P48169 1/20 0.61
GABRE P78334 1/20 0.61
GABRA6 Q16445 1/20 0.61
GABRG1 Q8N1C3 1/20 0.61
GABRG3 Q99928 1/20 0.61
GABRQ Q9UN88 1/20 0.61
CNR1 P21554 1/20 0.52
JAK1 P23458 1/20 0.49
PDK4 Q16654 1/20 0.49
HTR6 P50406 1/20 0.48

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
SCHEMBL2264033 0.90 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
Iodomethane SCHEMBL3717796 0.89 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8613887 0.88 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3222980 0.87 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12285689 0.87 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1231869 0.87 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL892861 0.87 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30567971 0.87 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6811482 0.86 SLC6A4 (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4881377 0.84 SLC6A4 (0.63) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019204505-A2 K-RAS MODULATORS WITH A VINYL SULFONAMIDE MOIETY THERAS, INC. (US) 2019-10-24 WO disclosed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
CN-101952286-A Bicyclic derivatives for use in the treatment of androgen receptor associated conditions ASTRAZENECA AB 2011-01-19 CN disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 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-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 GABRP 592/4885GABRD 331/4885GABRA1 466/4885

“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.