SCHEMBL13005148

SCHEMBL13005148

O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)C1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.57
KMT2A Q03164 2/20 0.57
TRPM8 Q7Z2W7 1/20 0.57
CA12 O43570 10/20 0.55
CA1 P00915 10/20 0.55
CA2 P00918 10/20 0.55
CA4 P22748 10/20 0.55
CA7 P43166 10/20 0.55
CA9 Q16790 10/20 0.55
MEN1 O00255 1/20 0.53
KDM4E B2RXH2 3/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
S100A4 P26447 1/20 0.51
ABL1 P00519 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
PKM P14618 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
SCHEMBL3777111 0.94 KDM4E (0.53) TRPV1KMT2ATRPM8CA12CA1
SCHEMBL5575433 0.82 TRPV1 (0.66) TRPV1KMT2ATRPM8CA12CA1
SCHEMBL3263316 0.81 CA12 (0.66) TRPV1KMT2ATRPM8CA12CA1
SCHEMBL6430735 0.81 CA12 (0.66) TRPV1KMT2ATRPM8CA12CA1
SCHEMBL6864670 0.81 KMT2A (0.68) TRPV1KMT2ATRPM8CA12CA1
SCHEMBL6576549 0.81 KMT2A (0.68) TRPV1KMT2ATRPM8CA12CA1
SCHEMBL3860897 0.79 KDM4E (0.65) KMT2AMEN1KDM4EPOLBLMNA
SCHEMBL3967944 0.78 KDM4E (0.58) KMT2AMEN1KDM4EPOLBLMNA
SCHEMBL27728031 0.77 KDM4E (0.56) KMT2AMEN1KDM4EPOLBLMNA
SCHEMBL4005186 0.77 KMT2A (0.60) TRPV1KMT2ATRPM8CA12CA1

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 14 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

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 TRPV1 388/4885KMT2A 101/4885TRPM8 752/4885
US-20070049571-A1 Dipiperazinyl ketones and related analogues HRH4, HRH3, HRH1 TRPV1 624/4885KMT2A 242/4885TRPM8 1293/4885

“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.