SCHEMBL1880561

SCHEMBL1880561

O=C(NC1CCc2c(c3cc(Br)ccc3n2Cc2cccc(F)c2)C1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.47
KRAS P01116 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
POLB P06746 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGDR Q13258 1/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.39

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
SCHEMBL14624694 0.90 PTGDR2 (0.47) PTGDR2HDAC1HDAC6HDAC3HDAC4
SCHEMBL1879459 0.88 PTGDR2 (0.46) PTGDR2HDAC1HDAC6HDAC3HDAC4
SCHEMBL1877740 0.88 PTGDR2 (0.46) PTGDR2HDAC1HDAC6HDAC3HDAC4
SCHEMBL1879657 0.88 PTGDR2 (0.46) PTGDR2HDAC1HDAC6HDAC3HDAC4
SCHEMBL1874015 0.88 PTGDR2 (0.46) PTGDR2HDAC1HDAC6HDAC3HDAC4
SCHEMBL1877855 0.88 PTGDR2 (0.48) PTGDR2KRASHDAC1HDAC6HDAC3
SCHEMBL1878612 0.88 PTGDR2 (0.48) PTGDR2KRASHDAC1HDAC6HDAC3
SCHEMBL12637031 0.88 PTGDR2 (0.48) PTGDR2KRASHDAC1HDAC6HDAC3
SCHEMBL1877864 0.86 PTGDR2 (0.45) PTGDR2KRASHDAC1HDAC6HDAC3
SCHEMBL12637204 0.86 PTGDR2 (0.45) PTGDR2HDAC1HDAC6HDAC3HDAC4

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
US-7935722-B2 Tetrahydrocarbazole derivatives useful as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-05-03 US disclosed
US-7935722-B2 Tetrahydrocarbazole derivatives useful as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-05-03 US disclosed
US-7935722-B2 Tetrahydrocarbazole derivatives useful as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-05-03 US disclosed
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS CELLECTIS (FR) 2010-01-28 US disclosed
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS CELLECTIS (FR) 2010-01-28 US disclosed
WO-2007002181-A2 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) ELI LILLY AND COMPANY (US) 2007-01-04 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-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS AR, SHBG, CYP17A1 PTGDR2 437/4885KRAS 4350/4885HDAC1 634/4885

“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.