SCHEMBL612704

SCHEMBL612704

O=C(NC1CCC(O)CC1)[C@H]1CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.50
TSHR P16473 2/20 0.50
SLC6A11 P48066 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC6A13 Q9NSD5 1/20 0.50
CYP2D6 P10635 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
POLB P06746 1/20 0.49
EPHX2 P34913 1/20 0.46
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
NOS2 P35228 1/20 0.41
ROCK2 O75116 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ULK1 O75385 1/20 0.37
EPHX1 P07099 2/20 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
Hydrochloric Acid SCHEMBL612951 0.98 SLC6A1 (0.49) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL2328415 0.93 SLC6A1 (0.57) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL19278876 0.93 SLC6A1 (0.57) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL6321055 0.93 SLC6A1 (0.57) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL24322676 0.88 SMN1; SMN2 (0.55) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL29542501 0.88 SMN1; SMN2 (0.55) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL22642315 0.86 POLB (0.67) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL1318693 0.86 SMN1; SMN2 (0.53) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL612579 0.86 SMN1; SMN2 (0.53) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL29979907 0.86 SMN1; SMN2 (0.53) SLC6A1TSHRSLC6A11LMNASMN1; SMN2

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-8288417-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-10-16 US disclosed
US-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-02-16 US disclosed
US-8071624-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-12-06 US disclosed
EP-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 EP disclosed
CN-1993128-A N-substituted piperidines and their use as pharmaceuticals INCYTE CORP (US) 2007-07-04 CN disclosed
EP-1758580-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 EP disclosed
WO-2006012226-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals INCYTE CORPORATION 2006-01-05 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 (2 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-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS HSD11B1, CYP11B1, HSD3B1 SLC6A1 637/4885TSHR 1143/4885SLC6A11 838/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 SLC6A1 1380/4885TSHR 1444/4885SLC6A11 1499/4885

“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.