SCHEMBL8316392

SCHEMBL8316392

COc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ CYP2C19 P33261 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ PDE4B Q07343 1/20 0.58
▸ MMP1 P03956 2/20 0.57
▸ MMP3 P08254 2/20 0.57
▸ MMP7 P09237 2/20 0.57
▸ MMP9 P14780 2/20 0.57
▸ MMP2 P08253 1/20 0.57
▸ MMP8 P22894 1/20 0.57
▸ GRIN2B Q13224 1/20 0.56
▸ HSD11B1 P28845 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ CHRM4 P08173 2/20 0.55
▸ CHRM2 P08172 1/20 0.55
▸ CHRM1 P11229 1/20 0.55
▸ MEN1 O00255 1/20 0.52

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
SCHEMBL7503285 0.89 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1CYP2C19PDE4B
SCHEMBL4035554 0.88 SMN1; SMN2 (0.72) SMN1; SMN2RAB9ANPC1CYP2C19ALDH1A1
SCHEMBL14922734 0.88 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1CYP2C19PDE4B
SCHEMBL6749001 0.87 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1CYP2C19PDE4B
SCHEMBL7502284 0.87 BCL9 (0.62) SMN1; SMN2RAB9ANPC1CYP2C19ALDH1A1
SCHEMBL14922380 0.86 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1CYP2C19LMNA
SCHEMBL5449838 0.86 CHRM4 (0.48) SMN1; SMN2RAB9ANPC1CYP2C19ALDH1A1
SCHEMBL25329767 0.85 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ANPC1CYP2C19ALDH1A1
SCHEMBL15747803 0.85 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ANPC1CYP2C19PDE4B
SCHEMBL4462505 0.85 GRIN2B (0.66) SMN1; SMN2RAB9ANPC1CYP2C19PDE4B

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
US-9944650-B2 [1,2,4]triazolo[4,3-B]pyridazines for use in the treatment of proliferative diseases ASTRAZENECA AB (SE) 2018-04-17 — — US disclosed
EP-3174881-B1 [1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2018-03-28 — — EP disclosed
US-20170210747-A1 [1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2017-07-27 — — US disclosed
US-20170210747-A1 [1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2017-07-27 — — US disclosed
EP-0630887-B1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LTD (GB) 1999-07-28 — — EP disclosed
US-5654299-A TREATING RESPIRATORY SYSTEM DISORDER (I.E. ASTHMA) WITH NEUROKININ 2 RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-08-05 — — US disclosed
EP-0630887-A1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LIMITED (GB) 1994-12-28 — — 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-20170210747-A1 [1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES MKI67, CCNI, CCNB1 SMN1; SMN2 854/4885RAB9A 2335/4885NPC1 1182/4885

“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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