SCHEMBL4253607

SCHEMBL4253607

COc1ccccc1[C@H]1CC[C@H](N2CCN(C3CCCCC3)CC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.72
TRPV6 Q9H1D0 1/20 0.62
SIGMAR1 Q99720 5/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTR2C P28335 2/20 0.53
DRD2 P14416 1/20 0.52
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2A P08913 1/20 0.49
CHRM1 P11229 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
CHRM3 P20309 1/20 0.49
KCNH2 Q12809 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49

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
SCHEMBL4253600 1.00 ABCB1 (0.72) ABCB1TRPV6SIGMAR1MEN1KMT2A
SCHEMBL12896742 0.93 MEN1 (0.61) ABCB1TRPV6SIGMAR1MEN1KMT2A
SCHEMBL7890862 0.93 MEN1 (0.61) ABCB1TRPV6SIGMAR1MEN1KMT2A
SCHEMBL12897136 0.93 MEN1 (0.61) ABCB1TRPV6SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL7879546 0.91 MEN1 (0.60) ABCB1TRPV6SIGMAR1MEN1KMT2A
SCHEMBL12896451 0.91 MEN1 (0.59) ABCB1TRPV6SIGMAR1MEN1KMT2A
SCHEMBL12896951 0.87 MEN1 (0.56) ABCB1TRPV6SIGMAR1MEN1KMT2A
SCHEMBL4263757 0.86 ABCB1 (0.69) ABCB1TRPV6SIGMAR1CHRM2CHRM4
SCHEMBL4263760 0.86 ABCB1 (0.69) ABCB1TRPV6SIGMAR1CHRM2CHRM4
SCHEMBL12897171 0.83 KDM4E (0.60) ABCB1TRPV6MEN1KMT2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984734-B1 SIGMA-2 RECEPTOR, METHOD OF SCREENING OF SPECIFIC LIGANDS AND USE OF THE SAME IN DIAGNOSTIC OR THERAPEUTIC METHODS UNIV BARI (IT) 2014-05-07 EP claimed
US-20090017038-A1 Sigma-2 Receptor, Method of Screening of Specific Ligands and Use of the Same in Diagnostic or Therapeutic Methods UNIVERSITA DEGLI STUDI DI BARI (IT) 2009-01-15 US claimed
EP-1984734-A2 SIGMA-2 RECEPTOR, METHOD OF SCREENING OF SPECIFIC LIGANDS AND USE OF THE SAME IN DIAGNOSTIC OR THERAPEUTIC METHODS Universita' degli studi di Bari (IT) 2008-10-29 EP claimed
WO-2007077543-A2 SIGMA-2 RECEPTOR, METHOD OF SCREENING OF SPECIFIC LIGANDS AND USE OF THE SAME IN DIAGNOSTIC OR THERAPEUTIC METHODS UNIVERSITA' DEGLI STUDI DI BARI (IT) 2007-07-12 WO claimed
EP-1984734-B1 SIGMA-2 RECEPTOR, METHOD OF SCREENING OF SPECIFIC LIGANDS AND USE OF THE SAME IN DIAGNOSTIC OR THERAPEUTIC METHODS UNIV BARI (IT) 2014-05-07 EP disclosed
US-20090017038-A1 Sigma-2 Receptor, Method of Screening of Specific Ligands and Use of the Same in Diagnostic or Therapeutic Methods UNIVERSITA DEGLI STUDI DI BARI (IT) 2009-01-15 US disclosed
EP-1984734-A2 SIGMA-2 RECEPTOR, METHOD OF SCREENING OF SPECIFIC LIGANDS AND USE OF THE SAME IN DIAGNOSTIC OR THERAPEUTIC METHODS Universita' degli studi di Bari (IT) 2008-10-29 EP disclosed
WO-2007077543-A2 SIGMA-2 RECEPTOR, METHOD OF SCREENING OF SPECIFIC LIGANDS AND USE OF THE SAME IN DIAGNOSTIC OR THERAPEUTIC METHODS UNIVERSITA' DEGLI STUDI DI BARI (IT) 2007-07-12 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 (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-20090017038-A1 Sigma-2 Receptor, Method of Screening of Specific Ligands and Use of the Same in Diagnostic or Therapeutic Methods SIGMAR1, TMEM97, OPRL1 ABCB1 993/4885TRPV6 1776/4885SIGMAR1 1/4885

“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.