SCHEMBL2319503

SCHEMBL2319503

CN1CCN(CN2CCN(C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.42
PAOX Q6QHF9 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA2 P00918 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.38
ALDH3A1 P30838 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
CHKA P35790 2/20 0.37
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 1/20 0.35
NCF1 P14598 1/20 0.34
PRMT6 Q96LA8 1/20 0.34

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
SCHEMBL18256171 0.91 CHKA (0.42) MC4RNPSR1CA2SIGMAR1CHKA
SCHEMBL23874621 0.88 CHKA (0.50) CA2ALDH1A1SIGMAR1CHKATDP1
SCHEMBL5807354 0.88 HRH3 (0.43) MC4RNPSR1CA2SIGMAR1CHKA
SCHEMBL19250975 0.86 PAOX (0.38) MC4RPAOXLMNANPSR1CA2
SCHEMBL10063749 0.84 POLB (0.41) MC4RLMNAPHGDHSIGMAR1
SCHEMBL13923300 0.84 KDM4E (0.48) ALDH1A1SIGMAR1KDM4EGAAALOX15
SCHEMBL18772772 0.82 CARM1 (0.48) ALDH1A1PHGDHMGLLSIGMAR1KDM4E
SCHEMBL24510598 0.82 HRH3 (0.41) MC4RALDH1A1SIGMAR1TDP1KDM4E
SCHEMBL6143515 0.81 PAOX (0.46) MC4RPAOXLMNAMGLLSIGMAR1
SCHEMBL40839 0.81 PAOX (0.46) MC4RPAOXLMNAMGLLSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300922-A1 PYRIDOPYRIMIDINES AS HISTAMINE H4-RECEPTOR INHIBITORS FAES FARMA, S.A. (ES) 2021-09-30 US disclosed
US-20210147478-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2021-05-20 US disclosed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
US-8496716-B2 Method for producing Mannich adducts that contain polyisobutylene phenol BASF SE (DE) 2013-07-30 US disclosed
US-8491879-B2 Ammonium-polyurethane- and/or polycarbonate compounds MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2013-07-23 US disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8178535-B2 Substituted sulfonamide compounds having bradykinin 1 receptor activity and use thereof as medicaments GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
US-20110251114-A1 METHOD FOR PRODUCING MANNICH ADDUCTS THAT CONTAIN POLYISOBUTYLENE PHENOL BASF SE (DE) 2011-10-13 US disclosed
US-8016898-B1 Method for producing Mannich adducts that contain polyisobutylene phenol BASF AKTIENGESELLSCHAFT (DE) 2011-09-13 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20080274924-A1 Alkylation of a phenol with polyisobutylene at low temperature in presence of alkylation catalyst; then formaldehyde and amine; oil and fuel additive BASF AKTIENGESELLSCHAFT (DE) 2008-11-06 US disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 US disclosed
EP-1226188-B1 METHOD FOR PRODUCING MANNICH ADDUCTS THAT CONTAIN POLYISOBUTYLENE PHENOL BASF AG (DE) 2004-12-01 EP disclosed
EP-1233990-B1 METHOD FOR PRODUCING MANNICH ADDUCTS THAT CONTAIN POLYISOBUTYLENE PHENOL BASF AG (DE) 2004-02-18 EP disclosed
EP-1233990-A1 METHOD FOR PRODUCING MANNICH ADDUCTS THAT CONTAIN POLYISOBUTYLENE PHENOL BASF AKTIENGESELLSCHAFT (DE) 2002-08-28 EP disclosed
WO-2001025293-A1 METHOD FOR PRODUCING MANNICH ADDUCTS THAT CONTAIN POLYISOBUTYLENE PHENOL BASF AKTIENGESELLSCHAFT (DE) 2001-04-12 WO disclosed
US-3983141-A Derivatives of 5-hydroxy-6-diloweralkylaminomethyl-benzofurans GRINEV ALEXEI NIKOLAEVICH 1976-09-28 US disclosed
US-3957761-A Process for the production of 1-aminomethyl-6-phenyl-4h-s-triazolo-[4,3-a][1]benzodiazepines and intermediates THE UPJOHN COMPANY (US) 1976-05-18 US disclosed
US-3933816-A 3-(Substituted aminomethyl)-7-substituted-3,5-dihydro-as-triazino[4,3-a][1,5]benzodiazepines THE UPJOHN COMPANY (US) 1976-01-20 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 (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-20110251114-A1 METHOD FOR PRODUCING MANNICH ADDUCTS THAT CONTAIN POLYISOBUTYLENE PHENOL ADH1C, FANCF, PCNA MC4R 1082/4885PAOX 299/4885LMNA 906/4885
US-20210300922-A1 PYRIDOPYRIMIDINES AS HISTAMINE H4-RECEPTOR INHIBITORS HRH4, HRH3, HRH2 MC4R 324/4885PAOX 2766/4885LMNA 3761/4885
US-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 MC4R 503/4885PAOX 3717/4885LMNA 1162/4885
US-20210147478-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII TFPI, F11, F13B MC4R 4575/4885PAOX 2803/4885LMNA 1300/4885

“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.