SCHEMBL131722

SCHEMBL131722

CC(C)COCC1CCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
ADRB1 P08588 1/20 0.31
CYP2D6 P10635 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL12056418 0.95 PRMT5 (0.34) SLC1A3SLC1A2SLC1A1PRMT5WDR77
SCHEMBL10228451 0.93 PRMT5 (0.36) SLC1A3SLC1A2SLC1A1PRMT5WDR77
SCHEMBL130874 0.90
SCHEMBL14265633 0.82 RHEB (0.31)
SCHEMBL18580427 0.82 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1PRMT5WDR77
SCHEMBL18580426 0.82 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1PRMT5WDR77
SCHEMBL12687468 0.80 SPHK2 (0.36) PRMT5WDR77ADRB1CYP2D6MEN1
SCHEMBL8977001 0.80
SCHEMBL12687460 0.80 SPHK2 (0.36) PRMT5WDR77ADRB1CYP2D6MEN1
SCHEMBL10307716 0.80 TDP1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940722-B2 Compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2015-01-27 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
US-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2013-02-28 US disclosed
US-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2013-02-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-8084472-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-12-27 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20090186888-A1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON, INC. (US) 2009-07-23 US disclosed
US-7514440-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2009-04-07 US disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-20070203135-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2007-08-30 US disclosed
US-7241779-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-07-10 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 (5 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-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease RORB, RORC, RORA SLC1A3 2130/4885SLC1A2 3151/4885SLC1A1 1811/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 SLC1A3 4804/4885SLC1A2 4730/4885SLC1A1 4670/4885
US-20090186888-A1 NOVEL FUSED PYRROLOCARBAZOLES PC, PYCR1, CYP11B2 SLC1A3 2991/4885SLC1A2 3306/4885SLC1A1 2703/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 SLC1A3 1952/4885SLC1A2 2234/4885SLC1A1 1437/4885
US-20070203135-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 SLC1A3 2991/4885SLC1A2 3306/4885SLC1A1 2703/4885

“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.