SCHEMBL3658857

SCHEMBL3658857

O=C(O)CN1CCCC(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.43
CCR5 P51681 1/20 0.43
OPRK1 P41145 1/20 0.43
SLC6A9 P48067 2/20 0.42
KDM2B Q8NHM5 2/20 0.42
CACNA1A O00555 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNA1C Q13936 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
FFAR1 O14842 1/20 0.41
BACE1 P56817 1/20 0.41
ACP3 P15309 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41

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) TACR1CCR5OPRK1SLC6A9CACNA1A
SCHEMBL3660510 0.90 SLC6A9 (0.52) TACR1OPRK1SLC6A9CACNA2D1CACNA1B
SCHEMBL3661510 0.89 BACE1 (0.48) BACE1KMT2A
SCHEMBL3658957 0.87 ALDH1A1 (0.47) CCR5OPRK1KDM2BFFAR1
SCHEMBL3661573 0.86 BACE1 (0.49) TACR1CCR5SLC6A9CACNA1ACACNA2D1
SCHEMBL3664387 0.81 BACE1 (0.53) CCR5SLC6A9BACE1
SCHEMBL3660528 0.77 KDM2B (0.44) TACR1CCR5KDM2BPOLBMAPT
SCHEMBL3663874 0.76 SLC6A9 (0.53) TACR1OPRK1SLC6A9CACNA2D1CACNA1B
SCHEMBL3663420 0.76 SLC6A9 (0.53) TACR1CCR5SLC6A9CACNA1ACACNA2D1
SCHEMBL7359674 0.74 ALDH1A1 (0.55) POLBBACE1KMT2A

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 TACR1 505/4885CCR5 2040/4885OPRK1 1378/4885

“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.