SCHEMBL7809289

SCHEMBL7809289

N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1ccc(OC2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.41
ACACB O00763 5/20 0.39
SLC6A4 P31645 2/20 0.38
APP P05067 1/20 0.38
SLC6A2 P23975 1/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
SPPL2A Q8TCT8 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PARP10 Q53GL7 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL7812580 0.88 F10 (0.37) SLC6A3ACACBSLC6A4SLC6A2HRH1
SCHEMBL7816654 0.85 HRH1 (0.38) SLC6A3ACACBSLC6A4SLC6A2HRH1
SCHEMBL12096691 0.85 HRH1 (0.38) SLC6A3ACACBSLC6A4SLC6A2HRH1
SCHEMBL7816736 0.85 CNR2 (0.41) SLC6A3ACACBSLC6A4APPSLC6A2
SCHEMBL2839865 0.85 CNR2 (0.41) SLC6A3ACACBSLC6A4APPSLC6A2
SCHEMBL7810695 0.84 CNR2 (0.42) SLC6A3ACACBSLC6A4APPSLC6A2
SCHEMBL7812615 0.83 ACACB (0.40) SLC6A3ACACBSLC6A4SLC6A2
SCHEMBL7810693 0.82 F10 (0.45) ACACBHRH1CCR3KCNH2
SCHEMBL7810821 0.77 ACACB (0.42) ACACB
SCHEMBL7813334 0.77 PARP15 (0.43) ACACBPARP10

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-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US 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-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 SLC6A3 12/4885ACACB 996/4885SLC6A4 33/4885

“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.