SCHEMBL84319

SCHEMBL84319

O=C(Nc1ccc(Cl)cc1C1=CCNCC1)c1ccnc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.44
CDK9 P50750 5/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MAPKAPK2 P49137 1/20 0.41
HTR2C P28335 2/20 0.40
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
CHEK1 O14757 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
BRPF1 P55201 1/20 0.38
KCNMA1 Q12791 1/20 0.38
SERPINE1 P05121 1/20 0.38
SLC2A1 P11166 1/20 0.38

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
Hydrochloric Acid SCHEMBL74316 1.00 CCNT1 (0.44) CCNT1CDK9SLC6A3KCNH2TAAR1
Hydrochloric Acid SCHEMBL74207 0.80 DYRK1A (0.44) GSK3B
SCHEMBL162058 0.76 KCNMA1 (0.53) HTR2CBRPF1KCNMA1SERPINE1
SCHEMBL72934 0.75 OPRM1 (0.47) CCNT1CDK9
SCHEMBL72813 0.74 MAPT (0.38) CCNT1CDK9GSK3B
SCHEMBL73625 0.73 MCHR1 (0.37) SIGMAR1
SCHEMBL73626 0.73 MCHR1 (0.37) SIGMAR1
SCHEMBL24891640 0.73 MAPKAPK2 (0.52) CCNT1CDK9SLC6A3KCNH2TAAR1
SCHEMBL30182609 0.73 MAPKAPK2 (0.52) CCNT1CDK9SLC6A3KCNH2TAAR1
SCHEMBL73208 0.71 MCHR1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045422-B2 Piperidine derivatives with pesticidal properties SYNGENTA PARTICIPATIONS AG (CH) 2015-06-02 US disclosed
US-9045422-B2 Piperidine derivatives with pesticidal properties SYNGENTA PARTICIPATIONS AG (CH) 2015-06-02 US disclosed
US-20130310399-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-21 US disclosed
US-8546569-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-10-01 US disclosed
US-8546569-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-10-01 US disclosed
US-20120270885-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-10-25 US disclosed
US-20120270885-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-10-25 US disclosed
US-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-20090042938-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2009-02-12 US disclosed
US-20090042938-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2009-02-12 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 (3 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-20120270885-A1 CHEMICAL COMPOUNDS H1-0, CHRM1, MRM1 CCNT1 679/4885CDK9 1123/4885SLC6A3 4549/4885
US-20090042938-A1 Chemical Compounds CHRM1, MRM1, H1-0 CCNT1 675/4885CDK9 1017/4885SLC6A3 4600/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 CCNT1 785/4885CDK9 1950/4885SLC6A3 4688/4885

“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.