SCHEMBL3663420

SCHEMBL3663420

CC1CC(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CCN1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.53
CACNA1A O00555 2/20 0.43
CACNA2D1 P54289 2/20 0.43
CACNB1 Q02641 2/20 0.43
CACNA1B Q00975 1/20 0.43
CACNA1C Q13936 1/20 0.43
TACR1 P25103 2/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CCR5 P51681 1/20 0.40

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
SCHEMBL3659873 0.91 SLC6A9 (0.63) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3664802 0.90 SLC6A9 (0.56) SLC6A9
SCHEMBL3661573 0.82 BACE1 (0.49) SLC6A9CACNA1ACACNA2D1CACNB1CACNA1B
SCHEMBL3664104 0.80 CCR5 (0.47) SLC6A9CACNA1ACACNA2D1CACNB1CACNA1B
SCHEMBL3660324 0.78 SLC6A9 (0.47) SLC6A9
SCHEMBL3658857 0.76 TACR1 (0.43) SLC6A9CACNA1ACACNA2D1CACNB1CACNA1B
SCHEMBL3664705 0.74 CCR5 (0.46) TACR1CCR5
SCHEMBL3663874 0.72 SLC6A9 (0.53) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3657250 0.71 SLC6A9 (0.54) SLC6A9TACR1CCR5
SCHEMBL3661481 0.70 SLC6A9 (0.47) SLC6A9CCR5

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 6 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-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 SLC6A9 8/4885CACNA1A 3618/4885CACNA2D1 3216/4885

“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.