SCHEMBL1775906

SCHEMBL1775906

CC(C)NC(=O)N1CC[CH]CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
PKM P14618 1/20 0.58
CYP1A2 P05177 4/20 0.50
CYP2C9 P11712 4/20 0.50
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 5/20 0.45
ALDH1A1 P00352 3/20 0.45
HIF1A Q16665 1/20 0.41
USP2 O75604 1/20 0.41
CNR1 P21554 3/20 0.40
TSHR P16473 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
SCHEMBL23464918 0.84
SCHEMBL3009879 0.82 SMN1; SMN2 (0.67) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL23331595 0.82 SMN1; SMN2 (0.67) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL3120355 0.80 SMN1; SMN2 (0.64) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL18129500 0.79 SMN1; SMN2 (0.49) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL13965465 0.78 SMN1; SMN2 (0.56) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL805882 0.77 PKM (0.60) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL12448163 0.77 SMN1; SMN2 (0.60) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL14934343 0.77 SMN1; SMN2 (0.60) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL4030616 0.76 POLB (0.68) SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380881-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-01-25 EP disclosed
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2013-11-14 US disclosed
US-8575153-B2 Pyridine-3-carboxyamide derivative KOWA COMPANY, LTD. (JP) 2013-11-05 US disclosed
US-8471038-B2 Bicyclic heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-06-25 US disclosed
US-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-12-01 US disclosed
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
EP-2380881-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-10-26 EP disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 US disclosed
US-7943609-B2 Such as (tetrahydr)imidazo(4,5-c ) quinoline or naphthymidine; immunomoderators; induce cytokine biosynthesis in animals; anticancer agents; viricides 3M INNOVATIVE PROPRERTIES COMPANY (US) 2011-05-17 US disclosed
US-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. 2009-10-29 US disclosed
US-20080269192-A1 Chiral Fused [1,2]Imidazo[4,5-C] Ring Compounds COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-10-30 US disclosed
WO-2006026760-A2 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-09 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 (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-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND OPRL1, SCN1B, OPRD1 SMN1; SMN2 81/4885PKM 4448/4885CYP1A2 3440/4885
US-20080269192-A1 Chiral Fused [1,2]Imidazo[4,5-C] Ring Compounds IFNAR1, IFNG, IL4 SMN1; SMN2 2992/4885PKM 4315/4885CYP1A2 802/4885
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND OPRL1, SCN1B, OPRD1 SMN1; SMN2 81/4885PKM 4448/4885CYP1A2 3440/4885
US-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS IL2, IL4I1, IFNG SMN1; SMN2 3231/4885PKM 3230/4885CYP1A2 1975/4885
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE JAK3, JAK1, UACA SMN1; SMN2 4406/4885PKM 4637/4885CYP1A2 2971/4885

“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.