SCHEMBL180214

SCHEMBL180214

Cc1c(OC2CCN(CC3CCNCC3)CC2)ccc(Cl)c1Cl.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1

nearest known ligand 0.60

Known targets — ChEMBL curated mechanism

BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 19/20 0.60
CCR3 P51677 19/20 0.60
KCNH2 Q12809 10/20 0.43
LMNA P02545 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
SCHEMBL180455 0.88 HRH1 (0.59) HRH1CCR3KCNH2
SCHEMBL180112 0.83 HRH1 (0.89) HRH1CCR3KCNH2
SCHEMBL4969419 0.81 CCR3 (0.55) HRH1CCR3KCNH2
SCHEMBL180375 0.80 HRH1 (0.87) HRH1CCR3KCNH2
SCHEMBL5194236 0.79 HRH1 (0.67) HRH1CCR3KCNH2
SCHEMBL180046 0.77 HRH1 (0.92) HRH1CCR3KCNH2
SCHEMBL5194209 0.77 HRH1 (0.76) HRH1CCR3KCNH2
SCHEMBL5192597 0.77 HRH1 (0.76) HRH1CCR3KCNH2
SCHEMBL5000775 0.77 HRH1 (0.78) HRH1CCR3KCNH2
SCHEMBL5192095 0.77 HRH1 (0.69) HRH1CCR3KCNH2

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-20130023562-A1 NOVEL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2013-01-24 US disclosed
US-8314127-B2 Piperidine derivatives ASTRAZENECA AB (SE) 2012-11-20 US disclosed
EP-1912941-B1 PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2012-11-14 EP disclosed
EP-2402316-A1 Piperidine derivatives AstraZeneca AB (Publ) (SE) 2012-01-04 EP disclosed
US-20080207688-A1 Novel Piperidine Derivatives ASTRAZENECA AB (SE) 2008-08-28 US disclosed
EP-1912941-A1 NOVEL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007011293-A1 NOVEL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-01-25 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 (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-20080207688-A1 Novel Piperidine Derivatives CCR3, CCR1, CCR4 HRH1 276/4885CCR3 1/4885KCNH2 4090/4885
US-20130023562-A1 NOVEL PIPERIDINE DERIVATIVES CCR3, CCR1, CCR4 HRH1 276/4885CCR3 1/4885KCNH2 4090/4885

“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.