SCHEMBL3664705

SCHEMBL3664705

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.46
NPY2R P49146 1/20 0.45
BACE1 P56817 1/20 0.44
KCNH2 Q12809 1/20 0.43
TRPM2 O94759 1/20 0.42
OPRK1 P41145 2/20 0.42
CYP2D6 P10635 1/20 0.42
PPARG P37231 1/20 0.42
TACR1 P25103 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL14282927 0.90 BACE1 (0.52) NPY2RBACE1KDM4EALDH1A1
SCHEMBL3658957 0.89 ALDH1A1 (0.47) CCR5TRPM2OPRK1CYP2D6KDM4E
SCHEMBL3661573 0.86 BACE1 (0.49) CCR5BACE1KCNH2TACR1
SCHEMBL3664104 0.80 CCR5 (0.47) CCR5BACE1OPRK1CYP2D6TACR1
SCHEMBL14282940 0.78 ALDH1A1 (0.52) NPY2RKDM4EALDH1A1
SCHEMBL7359674 0.77 ALDH1A1 (0.55) NPY2RBACE1CYP2D6KDM4EALDH1A1
SCHEMBL3663874 0.76 SLC6A9 (0.53) BACE1OPRK1TACR1
SCHEMBL9353069 0.75 BCHE (0.56) KCNH2OPRK1CYP2D6
SCHEMBL11609412 0.75 TACR1 (0.47) CCR5BACE1OPRK1TACR1
SCHEMBL3664457 0.74 OPRM1 (0.50) OPRK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 CCR5 2040/4885NPY2R 2974/4885BACE1 201/4885

“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.