SCHEMBL2839865

SCHEMBL2839865

NC(c1ccc(Cl)cc1)C(O)c1ccc(OC2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
ACACB O00763 7/20 0.41
SLC6A4 P31645 2/20 0.40
PARP10 Q53GL7 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
FFAR1 O14842 1/20 0.40
APP P05067 1/20 0.38
FURIN P09958 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
BCL2A1 Q16548 2/20 0.36
BID P55957 1/20 0.36

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
SCHEMBL7816736 1.00 CNR2 (0.41) CNR2ACACBSLC6A4PARP10SLC6A2
SCHEMBL7810695 0.99 CNR2 (0.42) CNR2ACACBSLC6A4PARP10SLC6A2
SCHEMBL12163959 0.86 ACACB (0.39) ACACBSLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL7809289 0.85 SLC6A3 (0.41) ACACBSLC6A4PARP10SLC6A2SLC6A3
SCHEMBL7803645 0.85 ACACB (0.41) CNR2ACACBSLC6A4SLC6A2SLC6A3
SCHEMBL9306433 0.80 SLC6A4 (0.56) SLC6A4PARP10SLC6A2SLC6A3FURIN
SCHEMBL9304772 0.78 SLC6A4 (0.58) CNR2SLC6A4PARP10SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL2834846 0.76 PARP10 (0.49) ACACBPARP10FFAR1APPALDH1A1
SCHEMBL24645195 0.76 ADRB2 (0.50) SLC6A4SLC6A2SLC6A3TSHR
SCHEMBL19598258 0.76 ADRB2 (0.50) SLC6A4SLC6A2SLC6A3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP claimed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO claimed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US claimed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO 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 (2 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-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CNR2 1582/4885ACACB 996/4885SLC6A4 33/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CNR2 1582/4885ACACB 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.