SCHEMBL15745587

SCHEMBL15745587

CN1CCC[C@H]1CCC(=O)NN

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.46
ACKR3 P25106 1/20 0.44
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CHRM3 P20309 3/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
CTSD P07339 1/20 0.38
TERT O14746 1/20 0.37

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
SCHEMBL15745596 0.95 MAPT (0.49) POLBHTTMAPTACKR3CYP1A2
SCHEMBL22277150 0.85 ACKR3 (0.45) ACKR3CYP1A2ALDH1A1CHRM3CHRNB2
SCHEMBL21801340 0.83 POLB (0.44) POLBHTTMAPTCYP1A2CHRNB2
SCHEMBL18134700 0.83 POLB (0.44) POLBHTTMAPTCYP1A2CHRNB2
SCHEMBL19544407 0.81 CYP1A2 (0.46) ACKR3CYP1A2ALDH1A1CHRM3CHRNB2
SCHEMBL19544406 0.79 CYP1A2 (0.47) ACKR3CYP1A2ALDH1A1CHRNB2CHRNA5
SCHEMBL16328043 0.79 CYP1A2 (0.47) ACKR3CYP1A2ALDH1A1CHRNB2CHRNA5
SCHEMBL19708766 0.79 CYP1A2 (0.47) CYP1A2ALDH1A1CHRM3CHRNB2CHRNA5
SCHEMBL18502526 0.78 MAPT (0.43) POLBHTTMAPTCYP1A2CHRNB2
SCHEMBL18502527 0.78 MAPT (0.43) POLBHTTMAPTCYP1A2CHRNB2

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 8 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-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 (4 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-20150005285-A1 Nitrogen containing compounds NOS2, NOS1, NCF1 POLB 1174/4885HTT 4646/4885MAPT 4078/4885
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 POLB 500/4885HTT 4804/4885MAPT 4760/4885
US-20150328201-A1 NITROGEN CONTAINING COMPOUNDS NOS2, NOS1, NCF1 POLB 1174/4885HTT 4646/4885MAPT 4078/4885
US-20140275018-A1 NITROGEN CONTAINING COMPOUNDS NOS2, NOS1, NCF1 POLB 1174/4885HTT 4646/4885MAPT 4078/4885

“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.