SCHEMBL7812784

SCHEMBL7812784

Cc1ccc([C@H](N)[C@H](O)c2ccc(OC(C)C)cc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
ACACB O00763 7/20 0.38
ACACA Q13085 4/20 0.38
PARP10 Q53GL7 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPT P10636 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL2839358 1.00 SMN1; SMN2 (0.38) SMN1; SMN2LMNAACACBACACAPARP10
SCHEMBL7808738 0.81 ADRB2 (0.44) LMNAACACBACACAPARP10KMT2A
SCHEMBL2836707 0.77 PARP10 (0.47) SMN1; SMN2LMNAACACBACACAPARP10
Hydrochloric Acid SCHEMBL2838217 0.76 PARP10 (0.46) SMN1; SMN2LMNAACACBACACAPARP10
SCHEMBL15953243 0.76 ADRB2 (0.41) LMNASLC6A2SLC6A4SLC6A3MAPT
SCHEMBL7803893 0.76 SLC6A2 (0.39) SMN1; SMN2LMNASLC6A2SLC6A4SLC6A3
SCHEMBL2832123 0.76 SLC6A2 (0.39) SMN1; SMN2LMNASLC6A2SLC6A4SLC6A3
SCHEMBL7810821 0.75 ACACB (0.42) ACACB
SCHEMBL3721647 0.75 LMNA (0.53) SMN1; SMN2LMNAPARP10SLC6A2SLC6A4
SCHEMBL2841303 0.75 RXRA (0.49) SLC6A2SLC6A4SLC6A3KMT2A

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 7 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-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
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US 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
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 2112/4885LMNA 4424/4885ACACB 996/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 SMN1; SMN2 2112/4885LMNA 4424/4885ACACB 996/4885

“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.