SCHEMBL20095903

SCHEMBL20095903

CN(C)C1CCCC[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 6/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
TSHR P16473 1/20 0.33
KCNA5 P22460 1/20 0.32
LTA4H P09960 2/20 0.31
HTT P42858 1/20 0.31
SLC6A4 P31645 1/20 0.30
OPRM1 P35372 1/20 0.30
KDR P35968 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL3081603 1.00 SLC18A3 (0.46) SLC18A3CA1CA2CA4TSHR
SCHEMBL3088065 1.00 SLC18A3 (0.46) SLC18A3CA1CA2CA4TSHR
SCHEMBL3083341 1.00 SLC18A3 (0.46) SLC18A3CA1CA2CA4TSHR
SCHEMBL3087522 1.00 SLC18A3 (0.46) SLC18A3CA1CA2CA4TSHR
SCHEMBL2453564 1.00 SLC18A3 (0.46) SLC18A3CA1CA2CA4TSHR
SCHEMBL3083346 1.00 SLC18A3 (0.46) SLC18A3CA1CA2CA4TSHR
SCHEMBL11338397 0.97 SLC18A3 (0.44) SLC18A3CA1CA2CA4TSHR
SCHEMBL11338392 0.97 SLC18A3 (0.44) SLC18A3CA1CA2CA4TSHR
SCHEMBL11338394 0.97 SLC18A3 (0.44) SLC18A3CA1CA2CA4TSHR
SCHEMBL23275886 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SLC18A3 2528/4885CA1 1419/4885CA2 691/4885

“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.