SCHEMBL4166707

SCHEMBL4166707

c1ccc(CCN2CCN(Cc3cccnc3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.66
CHRNA4 P43681 1/20 0.66
TRPV6 Q9H1D0 2/20 0.60
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
CCR3 P51677 1/20 0.55

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 SCHEMBL4166152 0.98 CHRNB2 (0.64) CHRNB2CHRNA4TRPV6KDM4EALDH1A1
SCHEMBL4168265 0.92 SLC6A3 (0.59)
Bromide SCHEMBL4171916 0.90 SLC6A3 (0.58)
SCHEMBL15800693 0.89 CHRNB2 (0.77) CHRNB2CHRNA4TRPV6KDM4EALDH1A1
SCHEMBL16026435 0.87 CHRNB2 (0.85) CHRNB2CHRNA4TRPV6KDM4EALDH1A1
SCHEMBL4169559 0.86 SIGMAR1 (0.67) KDM4EALDH1A1
Bromide SCHEMBL4174825 0.85 SIGMAR1 (0.65) KDM4EALDH1A1
SCHEMBL1305690 0.83 CHRNB2 (0.68) CHRNB2CHRNA4TRPV6KDM4EALDH1A1
SCHEMBL7194677 0.83 CHRNB2 (0.68) CHRNB2CHRNA4TRPV6KDM4EALDH1A1
SCHEMBL8306431 0.82 CHRNB2 (0.72) CHRNB2CHRNA4TRPV6KDM4EALDH1A1

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 9 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
EP-1981849-A1 HETEROCYCLIC COMPOUNDS LEK Pharmaceuticals D.D. (SI) 2008-10-22 EP claimed
WO-2007073935-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2007-07-05 WO 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 CHRNB2 628/4885CHRNA4 416/4885TRPV6 1740/4885

“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.