SCHEMBL4160649

SCHEMBL4160649

COc1ccc(CN2CCN(CCc3ccccc3)CC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.60
SIGMAR1 Q99720 6/20 0.54
KCNH2 Q12809 1/20 0.51
EBP Q15125 2/20 0.50
TMEM97 Q5BJF2 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
Bromide SCHEMBL4169169 0.99 TRPV6 (0.58) TRPV6SIGMAR1KCNH2EBPTMEM97
SCHEMBL18713082 0.83 TRPV6 (0.57) TRPV6HRH3
SCHEMBL18713087 0.80 TRPV6 (0.57) TRPV6SIGMAR1HRH3
SCHEMBL20413614 0.79 TRPV6 (0.56) TRPV6SIGMAR1HRH3
SCHEMBL23589183 0.79 HRH3 (0.67) TRPV6HRH3
SCHEMBL29259746 0.78 TRPV6 (0.56) TRPV6SIGMAR1HRH3
SCHEMBL20071088 0.78 CHKA (0.59) TRPV6HRH3
SCHEMBL14486572 0.78 MEN1 (0.50) TRPV6
SCHEMBL209098 0.77 TRPV6 (0.55) TRPV6HRH3
SCHEMBL20804834 0.77 DRD4 (0.56) TRPV6SIGMAR1

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-20090018118-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2009-01-15 US claimed
US-20090018118-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2009-01-15 US disclosed
US-20090018118-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2009-01-15 US disclosed
US-20090018118-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2009-01-15 US disclosed
EP-1981849-A1 HETEROCYCLIC COMPOUNDS LEK Pharmaceuticals D.D. (SI) 2008-10-22 EP disclosed
WO-2007073935-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2007-07-05 WO disclosed
WO-2007073935-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2007-07-05 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-20090018118-A1 HETEROCYCLIC COMPOUNDS CYP51A1, DHCR7, LSS TRPV6 1740/4885SIGMAR1 1948/4885KCNH2 392/4885

“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.