SCHEMBL3661573

SCHEMBL3661573

O=C(O)CN1CCC(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.49
TACR1 P25103 4/20 0.48
CCR5 P51681 2/20 0.46
CACNA1A O00555 1/20 0.46
CACNA2D1 P54289 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNB1 Q02641 1/20 0.46
CACNA1C Q13936 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
SOS1 Q07889 1/20 0.43
SLC6A9 P48067 2/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL3664104 0.93 CCR5 (0.47) BACE1TACR1CCR5CACNA1ACACNA2D1
SCHEMBL3663874 0.89 SLC6A9 (0.53) BACE1TACR1CACNA2D1CACNA1BCACNB1
SCHEMBL3662230 0.88 BACE1 (0.58) BACE1
SCHEMBL3664705 0.86 CCR5 (0.46) BACE1TACR1CCR5KCNH2
SCHEMBL3658857 0.86 TACR1 (0.43) BACE1TACR1CCR5CACNA1ACACNA2D1
SCHEMBL3661505 0.83 BACE1 (0.45) BACE1TACR1CACNA2D1CACNA1BCACNB1
SCHEMBL3663420 0.82 SLC6A9 (0.53) TACR1CCR5CACNA1ACACNA2D1CACNA1B
SCHEMBL9872721 0.81 CYP2D6 (0.47) BACE1CACNA1BSLC6A9KCNH2
SCHEMBL11609412 0.80 TACR1 (0.47) BACE1TACR1CCR5
SCHEMBL3664387 0.80 BACE1 (0.53) BACE1CCR5SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231601-A2 GLYCINE TRANSPORTER-1 INHIBITORS Amgen, Inc (US) 2010-09-29 EP claimed
WO-2009075857-A2 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2009-06-18 WO claimed
US-8258306-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2012-09-04 US disclosed
US-8258306-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2012-09-04 US disclosed
US-8258306-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2012-09-04 US disclosed
US-20100298341-A1 Glycine Transporter-1 Inhibitors AMGEN INC. 2010-11-25 US disclosed
US-20100298341-A1 Glycine Transporter-1 Inhibitors AMGEN INC. 2010-11-25 US disclosed
US-20100298341-A1 Glycine Transporter-1 Inhibitors AMGEN INC. 2010-11-25 US disclosed
EP-2231601-A2 GLYCINE TRANSPORTER-1 INHIBITORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075857-A2 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2009-06-18 WO disclosed
WO-2009075857-A2 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2009-06-18 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-20100298341-A1 Glycine Transporter-1 Inhibitors SLC18A2, SLC7A11, SLC6A5 BACE1 201/4885TACR1 505/4885CCR5 2040/4885

“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.