SCHEMBL8096431

SCHEMBL8096431

COC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.66
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CCR3 P51677 1/20 0.59
SIGMAR1 Q99720 2/20 0.59
LTA4H P09960 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
BCHE P06276 2/20 0.55
HRH3 Q9Y5N1 1/20 0.55
MC4R P32245 1/20 0.55
OPRM1 P35372 1/20 0.54
OPRK1 P41145 1/20 0.54
BACE1 P56817 1/20 0.54

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
SCHEMBL2087704 0.91 SMN1; SMN2 (0.59) ACHEMEN1KMT2ACCR3LTA4H
SCHEMBL4512639 0.90 LTA4H (0.60) ACHEMEN1KMT2ACCR3SIGMAR1
SCHEMBL3271398 0.90 LTA4H (0.60) ACHEMEN1KMT2ACCR3SIGMAR1
Hydrochloric Acid SCHEMBL18038825 0.88 LTA4H (0.58) ACHEMEN1KMT2ACCR3SIGMAR1
SCHEMBL12082512 0.84 ALDH1A1 (0.56) ACHEMEN1KMT2ALTA4HHRH3
SCHEMBL791901 0.84 MEN1 (0.55) ACHEMEN1KMT2ASIGMAR1LTA4H
SCHEMBL1428200 0.83 KDM4E (0.53) ACHESIGMAR1LTA4HBCHEHRH3
SCHEMBL995966 0.83 LTA4H (0.49) ACHEMEN1KMT2ACCR3LTA4H
SCHEMBL28375594 0.83 LTA4H (0.52) ACHEMEN1KMT2ALTA4HHRH3
SCHEMBL3158273 0.83 LMNA (0.57) ACHESIGMAR1LTA4HHRH3OPRM1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017093208-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-08 WO disclosed
US-9181220-B2 N-substituted-heterocycloalkyloxybenzamide compounds and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
CN-101903310-B Method for producing organic compound M TECH CO LTD 2014-12-17 CN disclosed
US-20140179738-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2014-06-26 US disclosed
CN-102099358-B Compound with serotoninergic activity, process for preparing same and pharmaceutical composition comprising same ACRAF 2014-01-22 CN disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 US disclosed
US-8569340-B2 AMPK-activating piperidinyloxypyiridine carboxamide and sulfonamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-8486941-B2 Phenyl amino pyrimidine compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-07-16 US disclosed
US-8486941-B2 Phenyl amino pyrimidine compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-07-16 US disclosed
US-20110230663-A1 PROCESS FOR THE PREPARATION OF DONEPEZIL HYDROCHLORIDE ALEMBIC LIMITED (IN) 2011-09-22 US disclosed
US-20110130286-A1 Piperazine Compounds with Herbicidal Effect BASF SE (DE) 2011-06-02 US disclosed
US-20110105759-A1 PROCESS FOR PRODUCING 1-BENZYL-4- [ (5,6-DIMETHOXY-1-INDANONE)-2-YLIDENE] METHYLPIPERIDINE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-05 US disclosed
US-7902235-B2 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS, INC. (US) 2011-03-08 US disclosed
US-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2010-08-05 US disclosed
US-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2010-08-05 US disclosed
US-20090203752-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2009-08-13 US disclosed
CN-1918165-A Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL MYERS SQUIBB CO (US) 2007-02-21 CN disclosed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 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 (7 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-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 ACHE 4874/4885MEN1 4037/4885KMT2A 835/4885
US-20110230663-A1 PROCESS FOR THE PREPARATION OF DONEPEZIL HYDROCHLORIDE BCHE, ACHE, PSEN1 ACHE 2/4885MEN1 2600/4885KMT2A 650/4885
US-20110105759-A1 PROCESS FOR PRODUCING 1-BENZYL-4- [ (5,6-DIMETHOXY-1-INDANONE)-2-YLIDENE] METHYLPIPERIDINE CMPK1, DHPS, IMPA1 ACHE 2594/4885MEN1 1085/4885KMT2A 1909/4885
US-20090203752-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 ACHE 4710/4885MEN1 2836/4885KMT2A 1404/4885
US-20140179738-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use PRKAG2, PRKAB2, PRKAG1 ACHE 1781/4885MEN1 3006/4885KMT2A 740/4885
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS MTOR, MAPKAP1, PIK3R5 ACHE 4885/4885MEN1 1736/4885KMT2A 2416/4885
US-20110130286-A1 Piperazine Compounds with Herbicidal Effect CAT, DDT, CIP2A ACHE 240/4885MEN1 4738/4885KMT2A 1951/4885

“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.