SCHEMBL15625946

SCHEMBL15625946

C[C@@H]1CC[C@@H](C(N)=O)NC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 1/20 0.36
EPHX1 P07099 2/20 0.36
CYP2D6 P10635 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL16399741 1.00 GLI1 (0.36) GLI1EPHX1CYP2D6KDM4EMAPT
Acetic Acid SCHEMBL17686041 0.94 EPHX1 (0.33) GLI1EPHX1CYP2D6CYP1A2ALOX15
SCHEMBL7885822 0.80 CYP2D6 (0.45) CYP2D6KDM4EKMT2ACYP1A2ALOX15
SCHEMBL5872389 0.80
SCHEMBL8691197 0.80 CYP2D6 (0.45) CYP2D6KDM4EKMT2ACYP1A2ALOX15
SCHEMBL12860960 0.80
SCHEMBL8248640 0.80
SCHEMBL16921041 0.80
SCHEMBL8255222 0.80
SCHEMBL14290005 0.80

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-9359353-B2 Nitrogen containing compounds and their use WOCKHARDT LIMITED (IN) 2016-06-07 US disclosed
US-20150322067-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE WOCKHARDT LIMITED (IN) 2015-11-12 US disclosed
US-9115131-B2 Nitrogen containing compounds and their use WOCKHARDT LTD. (IN) 2015-08-25 US disclosed
US-9090616-B2 Nitrogen containing compounds and their use WOCKHARDT LTD. (IN) 2015-07-28 US disclosed
US-20150166537-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE WOCKHARDT LTD. (IN) 2015-06-18 US disclosed
US-20150141394-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE WOCKHARDT LTD. (IN) 2015-05-21 US disclosed
US-8969334-B2 Nitrogen containing compounds and their use WOCKHARDT LTD. (IN) 2015-03-03 US disclosed
US-8969567-B2 Nitrogen containing compounds and their use WOCKHARDT LTD. (IN) 2015-03-03 US disclosed
US-20140296526-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE WOCKHARDT LIMITED (IN) 2014-10-02 US disclosed
US-8754102-B2 Nitrogen containing compounds and their use WOCKHARDT LTD. (IN) 2014-06-17 US disclosed
US-20140088070-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE WOCKHARDT LIMITED (IN) 2014-03-27 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-20140296526-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE NOS2, NOS1, NOS3 GLI1 2204/4885EPHX1 1883/4885CYP2D6 448/4885
US-20150166537-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE NOS2, NOS1, NOS3 GLI1 2204/4885EPHX1 1883/4885CYP2D6 448/4885
US-20150141394-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE NOS2, NOS1, NOS3 GLI1 2204/4885EPHX1 1883/4885CYP2D6 448/4885
US-20150322067-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE NOS2, NOS1, NOS3 GLI1 2204/4885EPHX1 1883/4885CYP2D6 448/4885
US-20140088070-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE NOS2, NOS1, NOS3 GLI1 2204/4885EPHX1 1883/4885CYP2D6 448/4885

“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.