SCHEMBL4609446

SCHEMBL4609446

Brc1ccc(CN2CCC3(CC2)OCCO3)cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.50
TRPV6 Q9H1D0 1/20 0.45
HPGD P15428 2/20 0.42
CYP11B1 P15538 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KCNH2 Q12809 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GRM2 Q14416 1/20 0.39
PDE4D Q08499 1/20 0.39
PARP1 P09874 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL16345634 0.81 TRPV6 (0.48) HRH3TRPV6CYP11B1KCNH2CACNA1I
SCHEMBL29725196 0.80 HRH3 (0.56) HRH3TRPV6CYP11B1SMN1; SMN2ALDH1A1
SCHEMBL1822660 0.80 HRH3 (0.56) HRH3TRPV6CYP11B1SMN1; SMN2ALDH1A1
SCHEMBL16441379 0.78 TRPV6 (0.49) TRPV6CYP11B1KCNH2CACNA1IGRM2
SCHEMBL29725200 0.78 HRH3 (0.55) HRH3TRPV6CYP11B1KCNH2CACNA1I
SCHEMBL3869875 0.78 HRH3 (0.55) HRH3TRPV6CYP11B1KCNH2CACNA1I
Hydrochloric Acid SCHEMBL4610066 0.78 HRH3 (0.46) HRH3TMEM97SIGMAR1SMN1; SMN2TSHR
SCHEMBL31093419 0.77 HRH3 (0.59) HRH3TRPV6CYP11B1SMN1; SMN2ALDH1A1
SCHEMBL1858355 0.77 HRH3 (0.59) HRH3TRPV6CYP11B1SMN1; SMN2ALDH1A1
SCHEMBL29695798 0.75 CHRNB2 (0.55) SMN1; SMN2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 HRH3 482/4885TRPV6 302/4885HPGD 1736/4885

“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.