SCHEMBL16227271

SCHEMBL16227271

Fc1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 14/20 0.74
SLC18A3 Q16572 2/20 0.57
SIGMAR1 Q99720 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL7303947 0.95 TRPV6 (0.68) TRPV6SLC18A3MEN1KMT2AKDM4E
SCHEMBL16226898 0.90 TRPV6 (0.82) TRPV6MEN1KMT2A
Ammonia Solution, Strong SCHEMBL5767783 0.89 TRPV6 (0.80) TRPV6MEN1KMT2A
SCHEMBL16225912 0.86 TSHR (0.62) SIGMAR1
SCHEMBL16225775 0.86 TSHR (0.62) SIGMAR1
SCHEMBL16226421 0.86 TRPV6 (0.64) TRPV6ALDH1A1
SCHEMBL7329656 0.86 MEN1 (0.74) SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL8829519 0.82 TRPV6 (0.53) TRPV6SIGMAR1MEN1KMT2AKDM4E
SCHEMBL16226241 0.81 TRPV6 (0.61) TRPV6MEN1KMT2AKDM4EALDH1A1
SCHEMBL4797625 0.81 SIGMAR1 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 TRPV6 3741/4885SLC18A3 2366/4885SIGMAR1 409/4885

“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.