SCHEMBL613135

SCHEMBL613135

O=C(NC1CCCCC1)[C@H]1CCCN(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.60
LMNA P02545 3/20 0.59
MAPT P10636 2/20 0.59
HTT P42858 2/20 0.59
ALOX12 P18054 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
POLB P06746 1/20 0.55
KDM4E B2RXH2 2/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
ALDH1A1 P00352 1/20 0.54
EPHX2 P34913 4/20 0.53
GAA P10253 1/20 0.51
PHGDH O43175 1/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
ACKR3 P25106 1/20 0.49
SERPINE1 P05121 1/20 0.49

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
SCHEMBL27664831 1.00 NOTUM (0.60) NOTUMLMNAMAPTHTTALOX12
SCHEMBL613054 0.86 EPHX2 (0.60) NOTUMPOLBTSHRHSD17B10ALDH1A1
SCHEMBL27684550 0.86 EPHX2 (0.60) NOTUMPOLBTSHRHSD17B10ALDH1A1
SCHEMBL612274 0.83 TSHR (0.60) NOTUMSMN1; SMN2TSHRHSD17B10USP2
SCHEMBL20095721 0.83 NOTUM (0.85) NOTUMLMNAPOLBKDM4ETSHR
SCHEMBL611579 0.82 ALDH1A1 (0.70) NOTUMLMNASMN1; SMN2TSHRHSD17B10
SCHEMBL613140 0.82 ALDH1A1 (0.70) NOTUMLMNASMN1; SMN2TSHRHSD17B10
SCHEMBL612644 0.81 TP53 (0.62) SMN1; SMN2TSHRHSD17B10ALDH1A1EPHX2
SCHEMBL24781288 0.81 PHGDH (0.60) NOTUMLMNAMAPTHTTALOX12
SCHEMBL20096151 0.81 NOTUM (0.63) NOTUMLMNASMN1; SMN2POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071624-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-12-06 US claimed
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals INCYTE CORPORATION 2006-01-05 US claimed
US-8288417-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-10-16 US disclosed
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-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
US-8071624-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-12-06 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
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 NOTUM 1178/4885LMNA 2501/4885MAPT 4231/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 NOTUM 965/4885LMNA 2826/4885MAPT 3318/4885

“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.