SCHEMBL938517

SCHEMBL938517

O=C(c1c(F)cccc1C(F)(F)F)N1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
HRH4 Q9H3N8 1/20 0.50
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
HTT P42858 1/20 0.46
CNR1 P21554 3/20 0.45
CNR2 P34972 3/20 0.45
KDM4E B2RXH2 1/20 0.45
REN P00797 2/20 0.44
KMT2A Q03164 1/20 0.43
EPHX2 P34913 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL937500 0.86 LMNA (0.71) LMNAHRH4ALDH1A1TSHRCYP1A2
SCHEMBL3761410 0.81 LMNA (0.51) LMNAALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL3528330 0.80 P2RX7 (0.55) HRH4CYP2C9CYP2C19SIGMAR1RXFP1
SCHEMBL3761414 0.80 LMNA (0.50) LMNAALDH1A1TSHRCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL3529996 0.79 P2RX7 (0.54) HRH4CYP2C9CYP2C19SIGMAR1RXFP1
SCHEMBL25305 0.78 RXFP1 (0.60) CYP2C9CYP2C19SIGMAR1RXFP1
SCHEMBL29943572 0.78 RXFP1 (0.60) CYP2C9CYP2C19SIGMAR1RXFP1
SCHEMBL6917875 0.77 RXFP1 (0.52) HRH4CYP2C9CYP2C19SIGMAR1RXFP1
Hydrochloric Acid SCHEMBL25425 0.77 RXFP1 (0.59) CYP2C9CYP2C19SIGMAR1RXFP1
SCHEMBL30903125 0.76 LMNA (0.53) LMNAHRH4ALDH1A1CYP1A2CYP2C9

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
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP disclosed
US-7964591-B2 Pyridazine derivatives and their use as therapeutic agents NOVARTIS PHARMA AG (CH) 2011-06-21 US disclosed
EP-2316827-A1 Piperazine derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP 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-20100311763-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NOVARTIS PHARMA AG (US) 2010-12-09 US disclosed
EP-2257291-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS Xenon Pharmaceuticals Inc. (CA) 2010-12-08 EP 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
WO-2009106991-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-09-03 WO disclosed
US-20080280916-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-11-13 US disclosed
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 US disclosed
EP-1851205-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-11-07 EP disclosed
WO-2006086447-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO 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 (5 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 LMNA 73/4885HRH4 486/4885ALDH1A1 2432/4885
US-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS PRXL2A, CUTA, MC1R LMNA 176/4885HRH4 228/4885ALDH1A1 2342/4885
US-20080280916-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MC1R, CASP9, PRDX5 LMNA 76/4885HRH4 332/4885ALDH1A1 2335/4885
US-20100311763-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MC1R, CASP9, PRDX5 LMNA 76/4885HRH4 332/4885ALDH1A1 2335/4885
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, C3AR1 LMNA 73/4885HRH4 471/4885ALDH1A1 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.