SCHEMBL811581

SCHEMBL811581

C[C@@H](N)CCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
SLC6A2 P23975 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
TACR1 P25103 3/20 0.47
IDO1 P14902 1/20 0.43
CYP2D6 P10635 1/20 0.42
AGXT P21549 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC1A1 P43005 1/20 0.41
CYP2C19 P33261 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
SCHEMBL812240 1.00 TSHR (0.52) TSHRSLC6A2TAAR1MAOASLC6A4
SCHEMBL14193191 1.00 TSHR (0.52) TSHRSLC6A2TAAR1MAOASLC6A4
SCHEMBL14763820 0.84 TSHR (0.56) TSHRTACR1TDP1L3MBTL1CYP2C19
SCHEMBL155702 0.84 TSHR (0.56) TSHRTACR1TDP1L3MBTL1CYP2C19
SCHEMBL9452755 0.81 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3IDO1CYP2D6
SCHEMBL9452741 0.81 IDO1 (0.47) SLC6A2TAAR1MAOAIDO1
SCHEMBL20207392 0.81 TSHR (0.48) TSHRSLC6A2TAAR1MAOASLC6A4
SCHEMBL20177696 0.81 TSHR (0.48) TSHRSLC6A2TAAR1MAOASLC6A4
SCHEMBL9452770 0.81 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3IDO1CYP2D6
SCHEMBL8114898 0.81 IDO1 (0.47) SLC6A2TAAR1MAOAIDO1AGXT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115052-B2 Separation of an enantiomer mixture of (R)- and (S)-3-amino-1-butanol BASF SE (DE) 2015-08-25 US disclosed
CN-102282122-B Separation of an enantiomer mixture of (r)- and (s)-3-amino-1-butanol BASF SE (DE) 2014-10-29 CN disclosed
EP-2387556-B1 SEPARATION OF AN ENANTIOMER MIXTURE OF (R)- AND (S)-3-AMINO-1-BUTANOL BASF SE (DE) 2014-07-30 EP disclosed
CN-102282122-A Separation of an enantiomer mixture of (r)- and (s)-3-amino-1-butanol 2011-12-14 CN disclosed
EP-2387556-A1 SEPARATION OF AN ENANTIOMER MIXTURE OF (R)- AND (S)-3-AMINO-1-BUTANOL BASF SE (DE) 2011-11-23 EP disclosed
US-20110275855-A1 SEPARATION OF AN ENANTIOMER MIXTURE OF (R)- AND (S)-3-AMINO-1-BUTANOL BASF SE (DE) 2011-11-10 US disclosed
US-8040972-B2 Wireless communication apparatus and method, and signal attenuation prediction apparatus and method SONY CORPORATION (JP) 2011-10-18 US disclosed
WO-2010081865-A1 SEPARATION OF AN ENANTIOMER MIXTURE OF (R)- AND (S)-3-AMINO-1-BUTANOL BASF SE (DE) 2010-07-22 WO disclosed
US-7358396-B2 Preparation of optically active amines BASF AKTIENGESELLSCHAFT (DE) 2008-04-15 US disclosed
US-7358396-B2 Preparation of optically active amines BASF AKTIENGESELLSCHAFT (DE) 2008-04-15 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 (1 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-20110275855-A1 SEPARATION OF AN ENANTIOMER MIXTURE OF (R)- AND (S)-3-AMINO-1-BUTANOL AP3S1, ADH5, ADH1C TSHR 2551/4885SLC6A2 2032/4885TAAR1 147/4885

“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.