SCHEMBL2422155

SCHEMBL2422155

C[C@@H]1CN(c2ncc(Cl)cc2Cl)CCN1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.55
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
BCL2A1 Q16548 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KIT P10721 1/20 0.42
ACVR1 Q04771 1/20 0.38
PHGDH O43175 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
CXCR3 P49682 1/20 0.37
PDE10A Q9Y233 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
CHRNB2 P17787 1/20 0.36

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
SCHEMBL907761 0.86 HRH4 (0.45) HRH4MAPK13MAPK12MAPK11MAPK14
SCHEMBL907759 0.86 HRH4 (0.45) HRH4MAPK13MAPK12MAPK11MAPK14
SCHEMBL8647031 0.83 HRH4 (0.51) HRH4MAPK13MAPK12MAPK11MAPK14
SCHEMBL4848635 0.82 HRH4 (0.43) HRH4MAPK13MAPK12MAPK11MAPK14
SCHEMBL2418856 0.82 HRH4 (0.43) HRH4MAPK13MAPK12MAPK11MAPK14
SCHEMBL23064348 0.81 CXCR3 (0.44) HRH4BCL2A1ALDH1A1LMNACXCR3
SCHEMBL2422543 0.81 HRH4 (0.42) HRH4MAPK13MAPK12MAPK11MAPK14
SCHEMBL2417846 0.81 SMN1; SMN2 (0.42) HRH4MAPK13MAPK12MAPK11MAPK14
SCHEMBL23064345 0.81 CXCR3 (0.44) HRH4BCL2A1ALDH1A1LMNACXCR3
SCHEMBL30356488 0.81 CXCR3 (0.44) HRH4BCL2A1ALDH1A1LMNACXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026241-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2011-09-27 US disclosed
US-7582761-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-09-01 US disclosed
US-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-06-04 US disclosed
EP-1551811-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Amgen Inc. (US) 2005-07-13 EP disclosed
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2004-08-05 US disclosed
WO-2004035549-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2004-04-29 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-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV3, TRPV2 HRH4 12/4885MAPK13 1145/4885MAPK12 1011/4885
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 HRH4 17/4885MAPK13 1224/4885MAPK12 1142/4885

“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.