SCHEMBL756337

SCHEMBL756337

CCCCn1nc(C(F)(F)F)c(C=O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
CYP2D6 P10635 2/20 0.32
LRRK2 Q5S007 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
NR1H3 Q13133 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
SCHEMBL29955381 0.91 KDM4E (0.34) CYP1A2CYP2C19CYP2C9L3MBTL1KDM4E
SCHEMBL29957974 0.87 CNR1 (0.34) CNR1CNR2NR1H3
SCHEMBL939241 0.84 KDM4E (0.35) CYP1A2CYP2C19CYP2C9L3MBTL1KDM4E
SCHEMBL15330148 0.81 KDM4E (0.35) CYP1A2CYP2C19CYP2C9L3MBTL1KDM4E
SCHEMBL2569093 0.81 CYP1A2 (0.32) CYP1A2CYP2C19CYP2C9L3MBTL1KDM4E
SCHEMBL29956676 0.78 SMN1; SMN2 (0.36) CYP1A2CYP2C19CYP2C9L3MBTL1HTT
SCHEMBL29953014 0.78 KDM4E (0.35) CYP1A2CYP2C19CYP2C9L3MBTL1HTT
SCHEMBL2555366 0.78 KDM4E (0.33) CYP1A2CYP2C19CYP2C9L3MBTL1KDM4E
SCHEMBL29952664 0.77 CNR1 (0.30) CNR1CNR2
SCHEMBL29954847 0.77 MPO (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2050745-B1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA AGRITECHNO CO LTD (JP) 2012-03-21 EP disclosed
US-7994094-B2 N-pyridylpiperidine compound, method for producing the same, and pest control agent OTSUKA AGRITECHNO CO., LTD. (JP) 2011-08-09 US disclosed
US-7994094-B2 N-pyridylpiperidine compound, method for producing the same, and pest control agent OTSUKA AGRITECHNO CO., LTD. (JP) 2011-08-09 US disclosed
US-20100137582-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA CHEMICAL CO., LTD. (JP) 2010-06-03 US disclosed
US-20100137582-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA CHEMICAL CO., LTD. (JP) 2010-06-03 US disclosed
CN-101511818-A N-pyridylpiperidine compound, method for producing the same, and pest control agent OTSUKA CHEMICAL CO LTD (JP) 2009-08-19 CN disclosed
EP-2050745-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT Otsuka Chemical Co., Ltd. (JP) 2009-04-22 EP disclosed
CN-100361982-C Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-01-16 CN disclosed
CN-1257895-C Isoxazoline derivatives and herbicides containing them as active ingredient KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-05-31 CN disclosed
CN-1673221-A Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 CN disclosed
CN-1491217-A Isoxazoline derivatives and herbicides containing them as active ingredient ��Ԩ��ѧ��ҵ��ʽ���� 2004-04-21 CN 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 (1 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-20100137582-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT HRH4, NOX4, PRDX4 CYP1A2 842/4885CYP2C19 538/4885CYP2C9 149/4885

“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.