SCHEMBL2836707

SCHEMBL2836707

Cc1ccc(C(N)C(=O)c2ccc(OC(C)C)cc2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.47
KMT2A Q03164 2/20 0.44
MAPT P10636 4/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
SLC6A2 P23975 1/20 0.41
CHRNB4 P30926 1/20 0.41
SLC6A4 P31645 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRND Q07001 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL2838217 0.99 PARP10 (0.46) PARP10KMT2AMAPTNPY1RNPY2R
SCHEMBL2837644 0.78 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3LMNAALDH1A1
SCHEMBL7812784 0.77 SMN1; SMN2 (0.38) PARP10KMT2AMAPTNPY1RNPY2R
SCHEMBL2839358 0.77 SMN1; SMN2 (0.38) PARP10KMT2AMAPTNPY1RNPY2R
SCHEMBL27842697 0.77 PARP10 (0.40) PARP10KMT2AMAPTNPY1RNPY2R
Hydrochloric Acid SCHEMBL2837071 0.77 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3LMNAALDH1A1
Hydrochloric Acid SCHEMBL2839835 0.76 RXRA (0.55) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL2836778 0.76 CHRNA1 (0.42) PARP10KMT2AMAPTNPY1RNPY2R
Hydrochloric Acid SCHEMBL2836623 0.76 FFAR4 (0.45)
Hydrochloric Acid SCHEMBL2833820 0.76 HRH3 (0.42) PARP10KMT2AHPGDACACBMEN1

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 PARP10 2064/4885KMT2A 397/4885MAPT 25/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 PARP10 2064/4885KMT2A 397/4885MAPT 25/4885

“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.