SCHEMBL2834264

SCHEMBL2834264

Fc1cc(OCC2CCO2)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
HRH3 Q9Y5N1 1/20 0.38
DRD4 P21917 6/20 0.38
SIGMAR1 Q99720 3/20 0.38
PARP10 Q53GL7 2/20 0.38
PARP15 Q460N3 1/20 0.38
FFAR1 O14842 2/20 0.38
GRM5 P41594 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL22053037 0.93 HRH3 (0.46) SMN1; SMN2HRH3NPC1RAB9ATDP1
SCHEMBL2833115 0.93 HRH3 (0.46) SMN1; SMN2HRH3NPC1RAB9ATDP1
SCHEMBL13033318 0.88 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL28595487 0.82 DRD4 (0.51) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL12496520 0.81 RAB9A (0.46) SMN1; SMN2HRH3NPC1RAB9ATDP1
SCHEMBL12496518 0.81 RAB9A (0.46) SMN1; SMN2HRH3NPC1RAB9ATDP1
SCHEMBL31424441 0.81 PARP10 (0.51) PARP10PARP15
SCHEMBL9931973 0.81 PARP10 (0.51) PARP10PARP15
SCHEMBL29051172 0.77 PARP10 (0.52) SMN1; SMN2PARP10PARP15FFAR1GRM5
SCHEMBL29051180 0.77 PARP10 (0.52) SMN1; SMN2PARP10PARP15FFAR1GRM5

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
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
CN-102333569-A Amine or amino alcohols as glyt1 inhibitors HOFFMANN LA ROCHE 2012-01-25 CN 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 SMN1; SMN2 2112/4885ALDH1A1 209/4885TP53 2446/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 SMN1; SMN2 2112/4885ALDH1A1 209/4885TP53 2446/4885

“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.