SCHEMBL541264

SCHEMBL541264

N#Cc1ccc2[nH]c3c(c2c1)CCC3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
AR P10275 3/20 0.56
RORC P51449 1/20 0.54
PARP1 P09874 1/20 0.53
MAPK10 P53779 1/20 0.49
RIPK1 Q13546 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
F2 P00734 1/20 0.49
MEN1 O00255 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GSK3B P49841 2/20 0.45
CDK5 Q00535 2/20 0.45
CDK5R1 Q15078 2/20 0.45
GSK3A P49840 1/20 0.45
CHUK O15111 1/20 0.44
CFTR P13569 1/20 0.43

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
SCHEMBL4032070 0.97 RORC (0.57) MAPTARRORCPARP1MAPK10
SCHEMBL9152103 0.84 MAPT (0.50) MAPTARRORCMAPK10RIPK1
SCHEMBL30570527 0.81 TAAR1 (0.56) ARPARP1MAPK10RIPK1KMT2A
SCHEMBL16465177 0.81 TAAR1 (0.56) ARPARP1MAPK10RIPK1KMT2A
Hydrochloric Acid SCHEMBL23828300 0.80 TAAR1 (0.59) ARPARP1MAPK10RIPK1KMT2A
SCHEMBL2360505 0.79 KDM4E (0.63) MAPTARPARP1MAPK10RIPK1
SCHEMBL12868085 0.77 AR (0.49) ARPARP1MAPK10RIPK1MEN1
SCHEMBL4032318 0.77 AR (0.55) MAPTARRORCPARP1MAPK10
SCHEMBL16770071 0.77 KMT2A (0.60) MAPTARRORCMAPK10RIPK1
SCHEMBL7029893 0.77 AR (0.46) ARRORCPARP1MAPK10RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140191208-A1 CARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-10 US disclosed
EP-2297100-B1 TETRAHYDROCYCLOPENTA[B]INDOLE ANDROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2012-10-31 EP disclosed
EP-1509518-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2012-02-08 EP disclosed
US-20100069404-A1 TETRAHYDROCYCLOPENTA[b] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-03-18 US disclosed
WO-2009140448-A1 TETRAHYDROCYCLOPENTA[B]INDOLE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2009-11-19 WO disclosed
US-7176322-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-02-13 US disclosed
EP-1509518-A1 CALCIUM RECEPTOR MODULATING AGENTS Amgen, Inc. (US) 2005-03-02 EP disclosed
US-20040077619-A1 Calcium receptor modulating agents AMGEN INC. 2004-04-22 US disclosed
WO-2003099814-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN, INC. (US) 2003-12-04 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 (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-20040077619-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR MAPT 2762/4885AR 765/4885RORC 1626/4885
US-20100069404-A1 TETRAHYDROCYCLOPENTA[b] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, NR5A1, MUSK MAPT 1309/4885AR 1/4885RORC 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.