SCHEMBL10258996

SCHEMBL10258996

O=C1CCC(c2ccc(OCCCN3CCCC3)cc2)=NN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 1.00
LMNA P02545 1/20 0.69
NPY1R P25929 1/20 0.69
NPY2R P49146 1/20 0.69
MAPT P10636 2/20 0.65
KMT2A Q03164 1/20 0.61
KCNH2 Q12809 2/20 0.55
HTR3A P46098 1/20 0.54
HRH1 P35367 1/20 0.53

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
SCHEMBL12017607 0.99 HRH3 (0.98) HRH3LMNANPY1RNPY2RMAPT
SCHEMBL13639803 0.82 HRH3 (0.69) HRH3LMNANPY1RNPY2RHTR3A
SCHEMBL1375529 0.82 HRH3 (1.00) HRH3LMNANPY1RNPY2RKCNH2
SCHEMBL1375527 0.82 HRH3 (1.00) HRH3LMNANPY1RNPY2RKCNH2
SCHEMBL10967326 0.82 LMNA (1.00) HRH3LMNANPY1RNPY2RMAPT
SCHEMBL1373314 0.82 LMNA (0.80) HRH3LMNANPY1RNPY2RMAPT
SCHEMBL1375275 0.81 HRH3 (0.68) HRH3LMNANPY1RNPY2RMAPT
SCHEMBL7306239 0.81 LMNA (0.78) HRH3LMNANPY1RNPY2RMAPT
SCHEMBL7325592 0.80 HRH3 (0.67) HRH3LMNANPY1RNPY2RMAPT
SCHEMBL10258297 0.80 HRH3 (0.74) HRH3HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492263-A1 Pyridizinone Derivatives Cephalon, Inc. (US) 2012-08-29 EP disclosed
US-8247414-B2 Pyridizinone derivatives and the use thereof as H3 inhibitors CEPHALON, INC. (US) 2012-08-21 US disclosed
US-8207168-B2 Pyridazinone derivatives CEPHALON, INC. (US) 2012-06-26 US disclosed
US-20110288075-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2011-11-24 US disclosed
US-20100280007-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-11-04 US disclosed
US-20100273779-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-10-28 US disclosed
US-20080027041-A1 Pyridizinone derivatives CEPHALON, INC. (US) 2008-01-31 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 (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-20080027041-A1 Pyridizinone derivatives H1-5, H1-3, H1-4 HRH3 4/4885LMNA 1068/4885NPY1R 3750/4885
US-20100280007-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 HRH3 1/4885LMNA 4668/4885NPY1R 624/4885
US-20110288075-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 HRH3 1/4885LMNA 4717/4885NPY1R 722/4885
US-20100273779-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 HRH3 1/4885LMNA 4668/4885NPY1R 624/4885

“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.