SCHEMBL2022641

SCHEMBL2022641

CO/N=C/c1ccc2[nH]c3c(c2c1)CC(NC(=O)C(C)C)C3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTR1A P08908 2/20 0.38
HTR1B P28222 2/20 0.38
HTR1D P28221 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
SRC P12931 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2022643 1.00 KMT2A (0.39) KMT2AMEN1HTR1AHTR1BHTR1D
SCHEMBL2023871 0.87 MEN1 (0.38) KMT2AMEN1HTR1AHTR1BHTR1D
SCHEMBL2023870 0.87 MEN1 (0.38) KMT2AMEN1HTR1AHTR1BHTR1D
SCHEMBL1873522 0.80 HTR1B (0.48) KMT2AMEN1HTR1AHTR1BHTR1D
SCHEMBL12637222 0.80 HTR1B (0.48) KMT2AMEN1HTR1AHTR1BHTR1D
SCHEMBL2026855 0.75 RORC (0.43) KMT2AMEN1HTR1AHTR1BHTR1D
SCHEMBL3155776 0.72 HTR1B (0.63) KMT2AMEN1HTR1AHTR1BHTR1D
SCHEMBL2022176 0.72 KMT2A (0.40) KMT2AMEN1HTR1AHTR1BHTR1D
SCHEMBL2022179 0.72 KMT2A (0.40) KMT2AMEN1HTR1AHTR1BHTR1D
SCHEMBL1878625 0.72 HTR1D (0.60) KMT2AMEN1HTR1AHTR1BHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094658-B1 TETRAHYDROCYCLOPENTA[B]INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2011-12-21 EP disclosed
US-7968587-B2 Tetrahydrocyclopenta[b]indole compounds as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-06-28 US disclosed
US-20100069404-A1 TETRAHYDROCYCLOPENTA[b] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-03-18 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-20100069404-A1 TETRAHYDROCYCLOPENTA[b] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, NR5A1, MUSK KMT2A 2197/4885MEN1 2000/4885HTR1A 124/4885

“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.