SCHEMBL2755880

SCHEMBL2755880

O=C(O)NCc1ccccc1N1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.67
FABP4 P15090 1/20 0.67
LIPG Q9Y5X9 2/20 0.57
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
SCN2A Q99250 1/20 0.52
SCN10A Q9Y5Y9 1/20 0.52
KMT2A Q03164 5/20 0.50
GAA P10253 4/20 0.50
MEN1 O00255 3/20 0.50
KCNQ2 O43526 2/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
PKM P14618 1/20 0.47
GFER P55789 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL2936357 0.98 FABP3 (0.65) FABP3FABP4LIPGCYP3A4CYP2C19
SCHEMBL17468452 0.86 FABP3 (0.62) FABP3FABP4LIPGCYP3A4CYP2C19
SCHEMBL2939291 0.85 SCN2A (0.54) FABP3FABP4CYP3A4CYP2C19SCN2A
SCHEMBL13853666 0.84 LIPG (0.60) FABP3FABP4LIPGCYP3A4CYP2C19
SCHEMBL25334554 0.81 FABP3 (1.00) FABP3FABP4LIPGCYP3A4CYP2C19
SCHEMBL13212055 0.80 POLB (0.62) FABP3FABP4LIPGSCN2ASCN10A
SCHEMBL2558725 0.80 FABP3 (0.59) FABP3FABP4LIPGCYP3A4CYP2C19
SCHEMBL10672043 0.79 FABP3 (0.61) FABP3FABP4LIPGCYP3A4CYP2C19
SCHEMBL2558196 0.78 KMT2A (0.59) FABP3FABP4LIPGCYP3A4CYP2C19
SCHEMBL5795219 0.78 KDM4E (0.52) FABP3FABP4LIPGCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
EP-1704148-B1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON INC (US) 2011-03-02 EP disclosed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO disclosed
WO-2005063763-A1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON, INC. (US) 2005-07-14 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 (3 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD FABP3 323/4885FABP4 1901/4885LIPG 510/4885
US-20100152196-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 FABP3 1187/4885FABP4 1138/4885LIPG 632/4885
US-20120004253-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 FABP3 1187/4885FABP4 1138/4885LIPG 632/4885

“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.