SCHEMBL419892

SCHEMBL419892

N#CCCN(Cc1ccccc1)[C@H](CO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.47
NPBWR1 P48145 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MCHR1 Q99705 1/20 0.47
POLB P06746 2/20 0.44
ALDH1A1 P00352 6/20 0.41
AR P10275 1/20 0.38
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 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
SCHEMBL31228348 0.85 TSHR (0.45) TSHRGAAKMT2ANPBWR1NPSR1
SCHEMBL18765554 0.82 TSHR (0.50) TSHRGAAKMT2ANPBWR1NPSR1
SCHEMBL18079514 0.82 TSHR (0.50) TSHRGAAKMT2ANPBWR1NPSR1
SCHEMBL25409933 0.79 GAA (0.47) TSHRGAAKMT2ANPBWR1NPSR1
SCHEMBL26302994 0.79 GAA (0.47) TSHRGAAKMT2ANPBWR1NPSR1
SCHEMBL25409931 0.79 GAA (0.47) TSHRGAAKMT2ANPBWR1NPSR1
SCHEMBL12616466 0.78 GAA (0.46) TSHRGAAKMT2ANPBWR1NPSR1
SCHEMBL14350192 0.76 POLB (0.46) TSHRGAAKMT2ANPBWR1NPSR1
SCHEMBL8987668 0.74 OPRD1 (0.44) TSHRGAAKMT2ANPBWR1NPSR1
SCHEMBL420942 0.72 POLB (0.45) GAAKMT2APOLBALDH1A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420487-A1 NOVEL METHOD FOR PRODUCING OPTICALLY ACTIVE PYRROLIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-22 EP disclosed
US-20120022271-A1 NOVEL METHOD FOR PRODUCING OPTICALLY ACTIVE PYRROLIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-01-26 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-20120022271-A1 NOVEL METHOD FOR PRODUCING OPTICALLY ACTIVE PYRROLIDINE COMPOUND PPOX, CBR3, ALDH18A1 TSHR 1563/4885GAA 727/4885KMT2A 4089/4885

“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.