SCHEMBL2833115

SCHEMBL2833115

Fc1cc(OCC2CCCO2)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
RAB9A P51151 6/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.43
EGLN2 Q96KS0 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
SCN9A Q15858 1/20 0.41
HPGD P15428 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
SCHEMBL22053037 1.00 HRH3 (0.46) HRH3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2834264 0.93 SMN1; SMN2 (0.42) HRH3RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL12496520 0.89 RAB9A (0.46) HRH3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL12496518 0.89 RAB9A (0.46) HRH3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8256709 0.84 RAB9A (0.49) HRH3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL22040914 0.84 RAB9A (0.49) HRH3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13033318 0.84 ALDH1A1 (0.57) SMN1; SMN2MAPTLMNATDP1HPGD
SCHEMBL1390776 0.84 HRH3 (0.44) HRH3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13862073 0.83 HRH3 (0.46) HRH3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL12697069 0.82 RAB9A (0.49) HRH3RAB9ANPC1SMN1; SMN2MAPT

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 5 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
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 HRH3 571/4885RAB9A 2034/4885NPC1 182/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 HRH3 571/4885RAB9A 2034/4885NPC1 182/4885

“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.