SCHEMBL2936034

SCHEMBL2936034

CCCCn1cnc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
KDR P35968 5/20 0.36
TSHR P16473 2/20 0.35
ADORA2A P29274 2/20 0.34
NR1H3 Q13133 1/20 0.34
DGAT1 O75907 1/20 0.34
MPO P05164 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CYP1A2 P05177 1/20 0.33
TOP2A P11388 1/20 0.33

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
SCHEMBL5496018 0.78
SCHEMBL2633379 0.78
SCHEMBL2936021 0.77
SCHEMBL31748041 0.75 KDR (0.36) ALDH1A1POLBKMT2ALMNAKDR
SCHEMBL12509998 0.74 LMNA (0.33) LMNA
SCHEMBL12597210 0.74 GSK3A (0.45) POLBLMNATSHRDGAT1
SCHEMBL20320475 0.73 MEN1 (0.41) ALDH1A1KMT2ALMNAKDRADORA2A
SCHEMBL16519817 0.73 LMNA (0.37) ALDH1A1POLBKMT2ALMNAKDR
SCHEMBL28730241 0.73 DGAT1 (0.38) ALDH1A1POLBKMT2ALMNAKDR
SCHEMBL10582495 0.72 KDR (0.47) ALDH1A1KMT2AKDRADORA2ATLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2018-07-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2018-02-01 US disclosed
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2018-02-01 US disclosed
US-9724418-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2017-08-08 US disclosed
US-9724418-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2017-08-08 US disclosed
US-9688696-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2017-06-27 US disclosed
US-9688696-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2017-06-27 US disclosed
US-20170029440-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 US disclosed
US-20140350012-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-11-27 US disclosed
US-20140350012-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-11-27 US disclosed
US-8835437-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-16 US disclosed
US-8835437-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-16 US disclosed
US-20110112111-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-12 US disclosed
US-20100267596-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS BASE SE (DE) 2010-10-21 US disclosed
EP-2229365-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS BASF SE (DE) 2010-09-22 EP disclosed
US-20100216809-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-26 US disclosed
US-20100216809-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-26 US disclosed
WO-2009077452-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS BASF SE (DE) 2009-06-25 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 (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-20100216809-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, DLAT ALDH1A1 488/4885POLB 1898/4885KMT2A 825/4885
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS ALDH1A1 201/4885POLB 4074/4885KMT2A 2086/4885
US-20170029440-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, PAOX, DGAT2 ALDH1A1 590/4885POLB 2074/4885KMT2A 1091/4885
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 ALDH1A1 585/4885POLB 2462/4885KMT2A 1750/4885
US-20140350012-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, PAOX, NNT ALDH1A1 629/4885POLB 2177/4885KMT2A 1208/4885
US-20100267596-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS LIPA, IDE, CEL ALDH1A1 997/4885POLB 1069/4885KMT2A 1061/4885
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent C1S, TRPA1, STK39 ALDH1A1 2890/4885POLB 4733/4885KMT2A 766/4885
US-20110112111-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 ALDH1A1 585/4885POLB 2462/4885KMT2A 1750/4885

“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.