SCHEMBL3777111

SCHEMBL3777111

O=C(NC1CN(c2ccc(C(F)(F)F)cn2)C1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
POLB P06746 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 2/20 0.52
PKM P14618 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
MEN1 O00255 1/20 0.50
TRPV1 Q8NER1 4/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
ABL1 P00519 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PANK3 Q9H999 1/20 0.48
S100A4 P26447 1/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48

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
SCHEMBL13005148 0.94 TRPV1 (0.57) KDM4EPOLBLMNASMN1; SMN2MAPT
SCHEMBL3967944 0.79 KDM4E (0.58) KDM4EPOLBLMNASMN1; SMN2MAPT
SCHEMBL3860897 0.78 KDM4E (0.65) KDM4EPOLBLMNASMN1; SMN2MAPT
SCHEMBL27728031 0.78 KDM4E (0.56) KDM4EPOLBLMNASMN1; SMN2MAPT
SCHEMBL3773673 0.77 SMN1; SMN2 (0.54) KDM4EPOLBLMNASMN1; SMN2MAPT
SCHEMBL3777238 0.76 SMN1; SMN2 (0.53) KDM4EPOLBLMNASMN1; SMN2MAPT
SCHEMBL3771336 0.75 SMN1; SMN2 (0.54) KDM4EPOLBLMNASMN1; SMN2MAPT
SCHEMBL2800748 0.75 HRH3 (0.63) KDM4EPOLBLMNASMN1; SMN2HRH3
SCHEMBL3765979 0.75 SMN1; SMN2 (0.49) KDM4EPOLBLMNASMN1; SMN2MAPT
SCHEMBL1778495 0.74 KDM4E (0.57) KDM4EPOLBLMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216182-B2 Carbamate/urea derivatives containing piperidin and piperazin rings as H3 receptor inhibitors NOVARTIS AG (CH) 2015-12-22 US claimed
US-20140235609-A1 CARBAMATE/UREA DERIVATIVES CONTAINING PIPERIDIN AND PIPERAZIN RINGS AS H3 RECEPTOR INHIBITORS SHANGHAI CHEMPARTNER CO., LTD (CN) 2014-08-21 US claimed
CN-103917534-A Carbamate/urea derivatives containing piperidine and piperazine rings as H3 receptor inhibitors NOVARTIS AG 2014-07-09 CN claimed
WO-2013050987-A9 CARBAMATE/ UREA DERIVATIVES CONTAINING PIPERIDIN AND PIPERAZIN RINGS AS H3 RECEPTOR INHIBITORS NOVARTIS AG (CH) 2013-07-25 WO claimed
US-9216182-B2 Carbamate/urea derivatives containing piperidin and piperazin rings as H3 receptor inhibitors NOVARTIS AG (CH) 2015-12-22 US disclosed
US-20140235609-A1 CARBAMATE/UREA DERIVATIVES CONTAINING PIPERIDIN AND PIPERAZIN RINGS AS H3 RECEPTOR INHIBITORS SHANGHAI CHEMPARTNER CO., LTD (CN) 2014-08-21 US disclosed
EP-2763978-A1 CARBAMATE/ UREA DERIVATIVES CONTAINING PIPERIDIN AND PIPERAZIN RINGS AS H3 RECEPTOR INHIBITORS Novartis AG (CH) 2014-08-13 EP disclosed
CN-103917534-A Carbamate/urea derivatives containing piperidine and piperazine rings as H3 receptor inhibitors NOVARTIS AG 2014-07-09 CN disclosed
WO-2013050987-A9 CARBAMATE/ UREA DERIVATIVES CONTAINING PIPERIDIN AND PIPERAZIN RINGS AS H3 RECEPTOR INHIBITORS NOVARTIS AG (CH) 2013-07-25 WO disclosed
WO-2013050987-A1 CARBAMATE/ UREA DERIVATIVES CONTAINING PIPERIDIN AND PIPERAZIN RINGS AS H3 RECEPTOR INHIBITORS NOVARTIS AG (CH) 2013-04-11 WO disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
WO-2007016496-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-02-08 WO 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-20140235609-A1 CARBAMATE/UREA DERIVATIVES CONTAINING PIPERIDIN AND PIPERAZIN RINGS AS H3 RECEPTOR INHIBITORS HRH3, HRH4, H1-5 KDM4E 257/4885POLB 3004/4885LMNA 4236/4885
US-20070049571-A1 Dipiperazinyl ketones and related analogues HRH4, HRH3, HRH1 KDM4E 534/4885POLB 4363/4885LMNA 2902/4885

“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.