SCHEMBL3151896

SCHEMBL3151896

FC(F)(F)c1nsc(N2CCNCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.45
▸ ADRB1 P08588 3/20 0.40
▸ SCN4A P35499 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ ADRB2 P07550 3/20 0.38
▸ EPHX2 P34913 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HRH1 P35367 2/20 0.36
▸ USP2 O75604 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL11460326 0.83 CHRNB2 (0.37) DPP4ADRB1SCN4ASCN9AADRB2
SCHEMBL11460661 0.78 CHRNB2 (0.42) DPP4HRH1USP2SMN1; SMN2TDP1
SCHEMBL11472212 0.73 CHRNB2 (0.32) DPP4HRH1USP2SMN1; SMN2TDP1
SCHEMBL3150091 0.73 DPP4 (0.42) DPP4ADRB1ADRB2KDM4EHRH1
SCHEMBL4482650 0.70 HRH1 (0.60) ADRB1KDM4EHRH1USP2SMN1; SMN2
SCHEMBL3152112 0.69 ADRB1 (0.39) ADRB1KDM4EHRH1USP2SMN1; SMN2
SCHEMBL3159834 0.69 ADRB1 (0.40) ADRB1SCN4ASCN9AKDM4EHRH1
SCHEMBL4483298 0.69 USP2 (0.61) KDM4EHRH1USP2SMN1; SMN2TDP1
SCHEMBL11479755 0.68 DPP4 (0.39) DPP4MAPTLMNA
SCHEMBL3152662 0.68 LMNA (0.43) DPP4ALDH1A1LMNA

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-9808456-B2 Piperazine thiazole derivatives useful in the treatment of tauopathies such as Alzheimer's disease REMYND NV (BE) 2017-11-07 — — US disclosed
US-20160101102-A1 PIPERAZINE THIAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF TAUOPATHIES SUCH AS ALZHEIMER'S DISEASE REMYND NV (BE) 2016-04-14 — — US disclosed
EP-2744798-B1 PIPERAZINE THIAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF TAUOPATHIES SUCH AS ALZHEIMER'S DISEASE REMYND NV (BE) 2016-03-30 — — EP disclosed
US-9187440-B2 Piperazine thiazole derivatives useful in the treatment of tauopathies such as alzheimer's disease REMYND NV (BE) 2015-11-17 — — US disclosed
US-20140206699-A1 PIPERAZINE THIAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF TAUOPATHIES SUCH AS ALZHEIMER'S DISEASE REMYND NV (BE) 2014-07-24 — — US disclosed
EP-2744798-A1 PIPERAZINE THIAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF TAUOPATHIES SUCH AS ALZHEIMER'S DISEASE reMynd NV (BE) 2014-06-25 — — EP disclosed
CN-103649062-A Piperazine thiazole derivatives useful in the treatment of tauopathies such as alzheimer's disease REMYND NV 2014-03-19 — — CN disclosed
WO-2013024168-A1 PIPERAZINE THIAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF TAUOPATHIES SUCH AS ALZHEIMER'S DISEASE REMYND NV (BE) 2013-02-21 — — WO disclosed
EP-1765816-B1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS GRUENENTHAL GMBH (DE) 2010-03-10 — — EP disclosed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 — — US disclosed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 — — US disclosed
EP-1765816-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2007-03-28 — — EP disclosed
WO-2006002981-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2006-01-12 — — 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 (3 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-20160101102-A1 PIPERAZINE THIAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF TAUOPATHIES SUCH AS ALZHEIMER'S DISEASE MAPT, PSEN1, RTN3 DPP4 3894/4885ADRB1 82/4885SCN4A 245/4885
US-20140206699-A1 PIPERAZINE THIAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF TAUOPATHIES SUCH AS ALZHEIMER'S DISEASE MAPT, PSEN1, RTN3 DPP4 3894/4885ADRB1 82/4885SCN4A 245/4885
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRM5, GRIK5, GRM1 DPP4 2917/4885ADRB1 310/4885SCN4A 407/4885

“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.

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