SCHEMBL2417846

SCHEMBL2417846

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
LMNA P02545 3/20 0.42
HRH4 Q9H3N8 2/20 0.42
BCL2A1 Q16548 2/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KIT P10721 1/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL2422155 0.81 HRH4 (0.55) LMNAHRH4BCL2A1ALDH1A1KIT
SCHEMBL907759 0.79 HRH4 (0.45) LMNAHRH4BCL2A1ALDH1A1KIT
SCHEMBL907761 0.79 HRH4 (0.45) LMNAHRH4BCL2A1ALDH1A1KIT
SCHEMBL31713145 0.79 OGA (0.39) LMNAHRH4ALDH1A1HTTKIT
SCHEMBL31713384 0.79 OGA (0.39) LMNAHRH4ALDH1A1HTTKIT
SCHEMBL4848635 0.79 HRH4 (0.43) LMNAHRH4BCL2A1ALDH1A1KIT
SCHEMBL2418856 0.79 HRH4 (0.43) LMNAHRH4BCL2A1ALDH1A1KIT
SCHEMBL23064345 0.78 CXCR3 (0.44) LMNAHRH4BCL2A1ALDH1A1
SCHEMBL2422543 0.78 HRH4 (0.42) LMNAHRH4BCL2A1ALDH1A1KIT
SCHEMBL23064348 0.78 CXCR3 (0.44) LMNAHRH4BCL2A1ALDH1A1

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 SMN1; SMN2 3029/4885LMNA 4319/4885HRH4 12/4885
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 SMN1; SMN2 3307/4885LMNA 4139/4885HRH4 17/4885

“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.