SCHEMBL2011822

SCHEMBL2011822

CN1CCN(C(=O)N2CCN(c3cccnn3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.56
TRPV1 Q8NER1 2/20 0.54
NAMPT P43490 2/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR3E A5X5Y0 3/20 0.43
HTR3B O95264 3/20 0.43
HTR3A P46098 3/20 0.43
HTR3D Q70Z44 3/20 0.43
HTR3C Q8WXA8 3/20 0.43
RIPK1 Q13546 1/20 0.43
GRM5 P41594 1/20 0.41
HTR4 Q13639 1/20 0.41
BCHE P06276 1/20 0.40

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
SCHEMBL27702525 0.92 SLC6A7 (0.63) SLC6A7TRPV1NAMPTKDM4EALDH1A1
SCHEMBL9557856 0.87 HTR3A (0.53) SLC6A7TRPV1KDM4EALDH1A1HTR3E
SCHEMBL6348921 0.81 HTR3E (0.47) SLC6A7TRPV1HTR3EHTR3BHTR3A
SCHEMBL4813898 0.81 SLC6A7 (0.66) SLC6A7TRPV1NAMPTKDM4EALDH1A1
Biphenyl SCHEMBL27685969 0.80 SLC6A7 (0.60) SLC6A7ALDH1A1HSD17B10HTR3EHTR3B
SCHEMBL21075073 0.79 AVPR1A (0.56)
SCHEMBL5462615 0.77 HTR3E (0.77) KDM4EALDH1A1HPGDHSD17B10HTR3E
SCHEMBL5317665 0.76 SLC6A7 (0.53) SLC6A7TRPV1NAMPTKDM4ERIPK1
SCHEMBL20140603 0.76 TRPV1 (0.57) SLC6A7TRPV1ALDH1A1
SCHEMBL5317667 0.76 SLC6A7 (0.53) SLC6A7TRPV1NAMPTKDM4ERIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964591-B2 Pyridazine derivatives and their use as therapeutic agents NOVARTIS PHARMA AG (CH) 2011-06-21 US disclosed
US-20100311763-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NOVARTIS PHARMA AG (US) 2010-12-09 US disclosed
US-20080280916-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-11-13 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-20080280916-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MC1R, CASP9, PRDX5 SLC6A7 3063/4885TRPV1 1762/4885NAMPT 2121/4885
US-20100311763-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MC1R, CASP9, PRDX5 SLC6A7 3063/4885TRPV1 1762/4885NAMPT 2121/4885

“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.