SCHEMBL15745596

SCHEMBL15745596

CN1CCCCC1CCC(=O)NN

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
ACKR3 P25106 1/20 0.41
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
CHRM1 P11229 1/20 0.37
CTSD P07339 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TERT O14746 1/20 0.36

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
SCHEMBL15745587 0.95 POLB (0.49) MAPTCYP1A2POLBHTTACKR3
SCHEMBL18502527 0.83 MAPT (0.43) MAPTCYP1A2POLBHTT
SCHEMBL18502526 0.83 MAPT (0.43) MAPTCYP1A2POLBHTT
SCHEMBL22277150 0.80 ACKR3 (0.45) CYP1A2ACKR3ALDH1A1TERT
SCHEMBL18688759 0.80 CYP1A2 (0.55) CYP1A2ADRA2ADRD1HRH2HTR2A
SCHEMBL21801340 0.78 POLB (0.44) MAPTCYP1A2POLBHTT
SCHEMBL18134700 0.78 POLB (0.44) MAPTCYP1A2POLBHTT
SCHEMBL19544407 0.76 CYP1A2 (0.46) CYP1A2ACKR3ALDH1A1
SCHEMBL26896069 0.75 CYP1A2 (0.50) CYP1A2ADRA2ADRD1HRH2HTR2A
SCHEMBL13584823 0.75 POLB (0.49) MAPTPOLBHTTCTSDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9381200-B2 Nitrogen containing compounds WOCKHARDT LIMITED (IN) 2016-07-05 US disclosed
US-20150328201-A1 NITROGEN CONTAINING COMPOUNDS WOCKHARDT LIMITED (IN) 2015-11-19 US disclosed
US-9132133-B2 Nitrogen containing compounds WOCKHARDT LTD. (IN) 2015-09-15 US disclosed
US-20150174133-A1 NITROGEN CONTAINING COMPOUNDS WOCKHARDT LIMITED (IN) 2015-06-25 US disclosed
US-8987297-B2 Nitrogen containing compounds WOCKHARDT LTD. (IN) 2015-03-24 US disclosed
US-20150005285-A1 Nitrogen containing compounds WOCKHARDT LIMITED (IN) 2015-01-01 US disclosed
US-8853197-B1 Nitrogen containing compounds WOCKHARDT LTD. (IN) 2014-10-07 US disclosed
US-20140275018-A1 NITROGEN CONTAINING COMPOUNDS WOCKHARDT LIMITED (IN) 2014-09-18 US disclosed
US-8822450-B2 1,6-diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections WOCKHARDT LTD. (IN) 2014-09-02 US disclosed
US-20140148431-A1 1,6- Diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections WOCKHARDT LIMITED (IN) 2014-05-29 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 (5 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-20150174133-A1 NITROGEN CONTAINING COMPOUNDS NOS2, NOS1, NCF1 MAPT 4078/4885CYP1A2 870/4885POLB 1174/4885
US-20150005285-A1 Nitrogen containing compounds NOS2, NOS1, NCF1 MAPT 4078/4885CYP1A2 870/4885POLB 1174/4885
US-20140148431-A1 1,6- Diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections ODC1, AOC1, CASP7 MAPT 4760/4885CYP1A2 208/4885POLB 500/4885
US-20150328201-A1 NITROGEN CONTAINING COMPOUNDS NOS2, NOS1, NCF1 MAPT 4078/4885CYP1A2 870/4885POLB 1174/4885
US-20140275018-A1 NITROGEN CONTAINING COMPOUNDS NOS2, NOS1, NCF1 MAPT 4078/4885CYP1A2 870/4885POLB 1174/4885

“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.