SCHEMBL7197995

SCHEMBL7197995

O=C(NC1CCCCC1NC(=O)c1ccccn1)c1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.68
GAA P10253 5/20 0.56
CYP1A2 P05177 1/20 0.56
SMYD3 Q9H7B4 1/20 0.56
CRBN Q96SW2 1/20 0.55
EGFR P00533 1/20 0.54
ERBB2 P04626 1/20 0.54
MET P08581 1/20 0.54
KDR P35968 1/20 0.54
MERTK Q12866 1/20 0.54
MAPT P10636 3/20 0.52
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
GRM4 Q14833 1/20 0.50

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
SCHEMBL7218492 1.00 GRM5 (0.68) GRM5GAACYP1A2SMYD3CRBN
SCHEMBL23425256 1.00 GRM5 (0.68) GRM5GAACYP1A2SMYD3CRBN
SCHEMBL29590900 1.00 GRM5 (0.68) GRM5GAACYP1A2SMYD3CRBN
SCHEMBL30043283 0.91 GRM5 (0.61) GRM5GAACYP1A2SMYD3CRBN
SCHEMBL30043552 0.91 GRM5 (0.61) GRM5GAACYP1A2SMYD3CRBN
SCHEMBL30044693 0.91 GRM5 (0.61) GRM5GAACYP1A2SMYD3CRBN
SCHEMBL18025266 0.90 GRM5 (0.59) GRM5GAACYP1A2SMYD3CRBN
SCHEMBL26923664 0.90 GRM5 (0.59) GRM5GAACYP1A2SMYD3CRBN
SCHEMBL30044931 0.88 GRM5 (0.65) GRM5GAACYP1A2SMYD3CRBN
SCHEMBL30975217 0.88 GRM5 (0.65) GRM5GAACYP1A2SMYD3CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927091-B2 Continuous carbonylation processes NOVOMER, INC. (US) 2021-02-23 US disclosed
US-10910642-B1 Redox flow battery having ligand-metal complex TRIAD NATIONAL SECURITY, LLC (US) 2021-02-02 US disclosed
US-20200331878-A1 CONTINUOUS CARBONYLATION PROCESSES NOVOMER, INC. 2020-10-22 US disclosed
US-10738022-B2 Continuous carbonylation processes NOVOMER, INC. (US) 2020-08-11 US disclosed
US-20190345125-A1 CONTINUOUS CARBONYLATION PROCESSES NOVOMER, INC. (US) 2019-11-14 US disclosed
US-10221150-B2 Continuous carbonylation processes NOVOMER, INC. (US) 2019-03-05 US disclosed
US-20180030015-A1 CONTINUOUS CARBONYLATION PROCESSES NOVOMER, INC. (US) 2018-02-01 US disclosed
US-8383673-B2 Nitridoosmium(VI) complexes for treatment of cancer CITY UNIVERSITY OF HONG KONG (HK) 2013-02-26 US disclosed
US-8383673-B2 Nitridoosmium(VI) complexes for treatment of cancer CITY UNIVERSITY OF HONG KONG (HK) 2013-02-26 US disclosed
US-20110230456-A1 Nitridoosmium(VI) Complexes for Treatment of Cancer THE CITY UNIVERSITY OF HONG KONG (HK) 2011-09-22 US disclosed
US-20110230456-A1 Nitridoosmium(VI) Complexes for Treatment of Cancer THE CITY UNIVERSITY OF HONG KONG (HK) 2011-09-22 US disclosed
US-6506908-B2 From bicyclo(3.1.0)hexabe; decyclization; decarboxylation MERCK & CO., INC. 2003-01-14 US disclosed
US-20020016492-A1 Process for preparing 3-hydroxymethyl-4-(aryl or heterocyclic)-cyclopentanones MERCK SHARP & DOHME CORP. 2002-02-07 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 (8 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-20180030015-A1 CONTINUOUS CARBONYLATION PROCESSES CBR1, CBR3, CYC1 GRM5 2416/4885GAA 2613/4885CYP1A2 17/4885
US-20190345125-A1 CONTINUOUS CARBONYLATION PROCESSES CBR1, CBR3, CYC1 GRM5 2416/4885GAA 2613/4885CYP1A2 17/4885
US-20110230456-A1 Nitridoosmium(VI) Complexes for Treatment of Cancer NPM1, IDH2, MT-ND5 GRM5 243/4885GAA 2583/4885CYP1A2 1379/4885
US-10221150-B2 Continuous carbonylation processes CBR1, CBR3, CYC1 GRM5 2416/4885GAA 2613/4885CYP1A2 17/4885
US-20200331878-A1 CONTINUOUS CARBONYLATION PROCESSES CBR1, CBR3, CYC1 GRM5 2416/4885GAA 2613/4885CYP1A2 17/4885
US-20020016492-A1 Process for preparing 3-hydroxymethyl-4-(aryl or heterocyclic)-cyclopentanones CCR1, CCR5, CCR6 GRM5 877/4885GAA 3331/4885CYP1A2 1129/4885
US-10738022-B2 Continuous carbonylation processes CBR1, CBR3, CYC1 GRM5 2416/4885GAA 2613/4885CYP1A2 17/4885
US-10927091-B2 Continuous carbonylation processes CBR1, CBR3, CYC1 GRM5 2416/4885GAA 2613/4885CYP1A2 17/4885

“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.