SCHEMBL8246017

SCHEMBL8246017

ClN[C@H]1CCc2cc(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
FADS1 O60427 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
PDPK1 O15530 1/20 0.37
KDM1A O60341 2/20 0.37
CAMK2A Q9UQM7 1/20 0.36
SLC6A4 P31645 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CTSD P07339 2/20 0.35
BACE1 P56817 2/20 0.35
CCR2 P41597 1/20 0.35

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
SCHEMBL18183936 0.88 CAMK2A (0.40) SRD5A1TRPV1CA1CA2CA12
SCHEMBL24994971 0.82 SRD5A1 (0.42) SRD5A1TRPV1FADS1CA1CA2
SCHEMBL31137445 0.82 PDPK1 (0.58) SRD5A1TRPV1CA1CA2CA12
SCHEMBL1415389 0.82 PDPK1 (0.58) SRD5A1TRPV1CA1CA2CA12
SCHEMBL1530500 0.79 GRIA2 (0.44) SRD5A1TRPV1CA1CA2CA12
SCHEMBL8247475 0.79 CA1 (0.41) FADS1CA1CA2CA12CA7
SCHEMBL8254113 0.79 HDAC6 (0.43) SRD5A1TRPV1FADS1CA1CA2
SCHEMBL8226753 0.79 SRD5A1 (0.43) SRD5A1TRPV1FADS1CA1CA2
SCHEMBL1882152 0.77 TRPV1 (0.52) SRD5A1TRPV1CA1CA2CA12
SCHEMBL13315863 0.76 LMNA (0.43) KDM1AHTR2AHTR2C

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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 SRD5A1 3637/4885TRPV1 2157/4885FADS1 2508/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 SRD5A1 3637/4885TRPV1 2157/4885FADS1 2508/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 SRD5A1 3637/4885TRPV1 2157/4885FADS1 2508/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 SRD5A1 3637/4885TRPV1 2157/4885FADS1 2508/4885

“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.