SCHEMBL3413093

SCHEMBL3413093

CCCCCC1(C#N)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.34
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
THRB P10828 1/20 0.32
MGAT2 Q10469 1/20 0.31
GAA P10253 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
SCHEMBL24308962 0.98 TSHR (0.36) TSHRNPC1MTORRAB9ATHRB
SCHEMBL23572529 0.98 TSHR (0.36) TSHRNPC1MTORRAB9ATHRB
SCHEMBL7171314 0.91 NPC1 (0.32) TSHRNPC1MTORRAB9A
SCHEMBL22518978 0.89 TSHR (0.33) TSHRNPC1MTORRAB9ATHRB
SCHEMBL3530585 0.89 MEN1 (0.34) TSHRNPC1MTORRAB9A
SCHEMBL4818284 0.87 MEN1 (0.36) TSHRNPC1MTORRAB9ATHRB
SCHEMBL7688455 0.86
SCHEMBL1761080 0.86 MGAT2 (0.30) MGAT2
SCHEMBL4594407 0.86
SCHEMBL10084551 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312558-A1 PROCESS FOR THE PREPARATION OF ARYLCYCLOPROPOANE CARBOXYLIC CARBONITRILES, AND COMPOUNDS DERIVED THEREFROM RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-12-17 US claimed
WO-2009150660-A1 A PROCESS FOR THE PREPARATION OF ARYLCYCLOPROPANE CARBOXYLIC CARBONITRILES, AND COMPOUNDS DERIVED THEREFROM RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-12-17 WO claimed
JP-7070037-A None JP disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20090312558-A1 PROCESS FOR THE PREPARATION OF ARYLCYCLOPROPOANE CARBOXYLIC CARBONITRILES, AND COMPOUNDS DERIVED THEREFROM RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-12-17 US disclosed
US-20090312558-A1 PROCESS FOR THE PREPARATION OF ARYLCYCLOPROPOANE CARBOXYLIC CARBONITRILES, AND COMPOUNDS DERIVED THEREFROM RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-12-17 US disclosed
WO-2009150660-A1 A PROCESS FOR THE PREPARATION OF ARYLCYCLOPROPANE CARBOXYLIC CARBONITRILES, AND COMPOUNDS DERIVED THEREFROM RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-12-17 WO disclosed
WO-2009150660-A1 A PROCESS FOR THE PREPARATION OF ARYLCYCLOPROPANE CARBOXYLIC CARBONITRILES, AND COMPOUNDS DERIVED THEREFROM RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-12-17 WO disclosed
US-20080319204-A1 PROCESS FOR THE SYNTHESIS OF PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2008-12-25 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US disclosed
CN-1446120-A Novel microcapsules SYNGENTA LTD (GB) 2003-10-01 CN disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO disclosed
US-6274583-B1 Alpha 1a adrenergic receptor antagonists MERCK & CO., INC. 2001-08-14 US disclosed
EP-0833637-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST MERCK & CO INC (US) 1998-07-08 EP disclosed
EP-0833637-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST Merck & Co., Inc. (US) 1998-04-08 EP disclosed
WO-1996040136-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 1996-12-19 WO disclosed
JP-H0770037-A PRODUCTION OF CYANOACYLCYCLOPROPANE COMPOUND AND 2-CYANOACYL-4-BUTANOLIDE COMPOUND USED THEREFOR FUJI PHOTO FILM CO LTD 1995-03-14 JP 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 (4 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-20090312558-A1 PROCESS FOR THE PREPARATION OF ARYLCYCLOPROPOANE CARBOXYLIC CARBONITRILES, AND COMPOUNDS DERIVED THEREFROM NOTUM, SULT2A1, SULT1A1 TSHR 3358/4885NPC1 3335/4885MTOR 2067/4885
US-20080319204-A1 PROCESS FOR THE SYNTHESIS OF PROGESTERONE RECEPTOR MODULATORS OXTR, PGR, NR3C2 TSHR 87/4885NPC1 2237/4885MTOR 2883/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 TSHR 3190/4885NPC1 763/4885MTOR 4060/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP TSHR 2085/4885NPC1 593/4885MTOR 2272/4885

“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.