SCHEMBL7809091

SCHEMBL7809091

N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1ccc(OCC(O)CCCl)cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV4 Q9HBA0 2/20 0.36
CACNA1G O43497 3/20 0.36
KCNH2 Q12809 3/20 0.36
FFAR1 O14842 1/20 0.36
ATF4 P18848 7/20 0.35
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL7812533 0.78 FFAR1 (0.38) CACNA1GFFAR1
SCHEMBL10486057 0.77 KMT2A (0.51) KMT2ASMN1; SMN2CACNA1GKCNH2HRH1
SCHEMBL7803758 0.74 RAB9A (0.39) KMT2ASMN1; SMN2MEN1HTT
SCHEMBL7809141 0.72 PTGS1 (0.39) KCNH2HRH1CCR3
SCHEMBL7808880 0.70 ACACB (0.42) KCNH2
SCHEMBL2836616 0.69 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2KCNH2HTT
SCHEMBL7809264 0.69 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2KCNH2HTT
SCHEMBL13261120 0.69 CACNA1G (0.37) KMT2ASMN1; SMN2TRPV4CACNA1GKCNH2
SCHEMBL10485858 0.69 KMT2A (0.71) KMT2ASMN1; SMN2MEN1HTT
SCHEMBL7811231 0.68 CYP17A1 (0.38) TRPV4KCNH2

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-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
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 KMT2A 397/4885SMN1; SMN2 2112/4885TRPV4 4286/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 KMT2A 397/4885SMN1; SMN2 2112/4885TRPV4 4286/4885

“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.