SCHEMBL937452

SCHEMBL937452

CN1CCN(C(=O)N2CCN(c3ccc(C(=O)O)nn3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SCD O00767 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ BPTF Q12830 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ TGM2 P21980 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL64557 0.93 NPC1 (0.47) NPC1KDM4EALDH1A1SCDRAB9A
SCHEMBL2944404 0.88 NPC1 (0.46) NPC1KDM4EALDH1A1SCDRAB9A
1,4-Dichlorobenzene SCHEMBL27654403 0.86 RAB9A (0.49) NPC1KDM4EALDH1A1SCDRAB9A
SCHEMBL24620129 0.84 BPTF (0.54) KDM4EALDH1A1SCDBPTFL3MBTL1
SCHEMBL27797424 0.81 MAPT (0.46) NPC1KDM4EALDH1A1RAB9AHTR3E
SCHEMBL938175 0.80 CKS1B (0.50) NPC1SCDRAB9A
SCHEMBL62904 0.79 PARP1 (0.49) NPC1KDM4EALDH1A1RAB9APARP1
SCHEMBL938850 0.78 MEN1 (0.52) KDM4EALDH1A1SCDRAB9ABPTF
SCHEMBL936603 0.77 SLC6A7 (0.55) KDM4EALDH1A1SCDL3MBTL1
SCHEMBL938002 0.77 LMNA (0.48) SCDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042895-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2016-07-13 — — EP disclosed
EP-2316827-B1 Piperazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2016-01-27 — — EP disclosed
CN-102600162-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2012-07-25 — — CN disclosed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 — — EP disclosed
EP-2316827-A1 Piperazine derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 — — EP disclosed
CN-101980709-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2011-02-23 — — CN disclosed
US-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS XENON PHARMACEUTICALS INC. (CA) 2011-01-27 — — US disclosed
US-7759348-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2010-07-20 — — US disclosed
US-7754711-B2 Antidiabetic agents; disease of glucose tolerance; insulin resistance; obesity; dyslipidemia; metabolic disorders; liver disorders XENON PHARMACEUTICALS INC. (CA) 2010-07-13 — — US disclosed
CN-101669952-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2010-03-17 — — CN disclosed
CN-100558713-C Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2009-11-11 — — CN disclosed
CN-101160289-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2008-04-09 — — CN disclosed
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 — — US disclosed
US-20070087363-A1 Therapeutic methods, compounds and compositions MYRIAD GENETICS, INCORPORATED (US) 2007-04-19 — — US disclosed
CN-1829698-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2006-09-06 — — CN disclosed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 — — EP disclosed
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-01-12 — — US disclosed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 — — US disclosed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 — — 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 (4 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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 NPC1 797/4885KDM4E 1401/4885ALDH1A1 2432/4885
US-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS PRXL2A, CUTA, MC1R NPC1 3537/4885KDM4E 520/4885ALDH1A1 2342/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 NPC1 31/4885KDM4E 4395/4885ALDH1A1 3898/4885
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, C3AR1 NPC1 802/4885KDM4E 1445/4885ALDH1A1 2260/4885

“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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