SCHEMBL2453383

SCHEMBL2453383

CCCCCN(C)c1ccccc1C(=NN1CCCCCC1)n1ccnc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34

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
SCHEMBL2452744 0.85 ADRB2 (0.35) ADRB2ADRB1ADRB3
SCHEMBL2452001 0.83 ADRB2 (0.37) ADRB2ADRB1ADRB3
SCHEMBL2452004 0.83 ADRB2 (0.37) ADRB2ADRB1ADRB3
SCHEMBL2447225 0.82 LIPG (0.38) ADRB2ADRB1ADRB3
SCHEMBL2449249 0.81 ADRB2 (0.46) ADRB2ADRB1ADRB3
SCHEMBL2449762 0.81 ADRB2 (0.46) ADRB2ADRB1ADRB3
SCHEMBL2449251 0.81 ADRB2 (0.46) ADRB2ADRB1ADRB3
SCHEMBL2447651 0.80 ADRB2 (0.45) ADRB2ADRB1ADRB3
SCHEMBL2452553 0.80 ADRB2 (0.45) ADRB2ADRB1ADRB3
SCHEMBL2452707 0.80 ADRB2 (0.45) ADRB2ADRB1ADRB3

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-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 EP 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 (1 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-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 HRH3 11/4885ADRB2 16/4885ADRB1 33/4885

“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.