SCHEMBL1195907

SCHEMBL1195907

Cc1ccc(Cl)c(OCCN[C@@H](C)CO)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.61
ALDH1A1 P00352 7/20 0.51
MAPT P10636 4/20 0.51
CYP2C19 P33261 3/20 0.51
HPGD P15428 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
POLB P06746 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 2/20 0.51
CYP2C9 P11712 2/20 0.51
USP2 O75604 1/20 0.51
ALOX12 P18054 1/20 0.51
KDM4E B2RXH2 9/20 0.51
TDP1 Q9NUW8 4/20 0.50
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43

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
SCHEMBL15346331 0.86 HTR1A (0.67) HTR1AALDH1A1HPGDPOLBMEN1
SCHEMBL1195203 0.84 ALDH1A1 (0.49) HTR1AALDH1A1MAPTCYP2C19HPGD
SCHEMBL3400308 0.78 HTR1A (0.64) HTR1AALDH1A1CYP2C19POLBNPSR1
SCHEMBL1194624 0.78 HTR1A (0.64) HTR1AALDH1A1CYP2C19POLBNPSR1
SCHEMBL15346430 0.77 ALDH1A1 (0.70) HTR1AALDH1A1MAPTHPGDL3MBTL1
SCHEMBL10358917 0.77 MAPT (0.65) ALDH1A1MAPTCYP2C19HPGDL3MBTL1
SCHEMBL1195172 0.76 HTR1A (0.55) HTR1AL3MBTL1POLBMEN1KMT2A
SCHEMBL16447736 0.76 HTR1A (1.00) HTR1AALDH1A1HPGDL3MBTL1POLB
SCHEMBL16447735 0.76 HTR1A (1.00) HTR1AALDH1A1HPGDL3MBTL1POLB
SCHEMBL1195540 0.76 LMNA (0.54) ALDH1A1MAPTL3MBTL1POLBNPSR1

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-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2011-02-03 US claimed
US-8841347-B2 Derivatives of aminoalkanols, method of obtaining of aminoalkanols and their use UNIWERSYTET JAGIELLONSKI (PL) 2014-09-23 US disclosed
US-8633251-B2 Derivatives of aminoalkanols, method of obtaining of aminoalkanols and their use UNIWERSYTET JAGIELLONSKI (PL) 2014-01-21 US disclosed
US-20130289118-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2013-10-31 US disclosed
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2011-02-03 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-20130289118-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE SCN1A, SCN3A, ACHE HTR1A 526/4885ALDH1A1 461/4885MAPT 1048/4885
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE ACHE, CNR2, SCN1A HTR1A 489/4885ALDH1A1 541/4885MAPT 1073/4885

“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.