SCHEMBL1848675

SCHEMBL1848675

C=CCN[C@@H]1CCCC[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX1 P07099 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HTR1A P08908 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL1848674 1.00 TSHR (0.36) TSHRNPSR1EPHX1TAS1R3TAS1R1
SCHEMBL17291825 0.84 HTR1A (0.39) NPSR1HTR1AALDH1A1KMT2A
SCHEMBL19381478 0.78 ALDH1A1 (0.47) TSHRNPSR1EPHX1TAS1R3TAS1R1
SCHEMBL6397302 0.75 ALDH1A1 (0.37) HTR1AALDH1A1KMT2A
SCHEMBL6390289 0.75 ANPEP (0.42) HTR1AALDH1A1KMT2A
SCHEMBL6396632 0.75 ALDH1A1 (0.37) HTR1AALDH1A1KMT2A
SCHEMBL6397294 0.75 ALDH1A1 (0.37) HTR1AALDH1A1KMT2A
SCHEMBL6390292 0.75 ANPEP (0.42) HTR1AALDH1A1KMT2A
SCHEMBL21316453 0.75 ANPEP (0.42) HTR1AALDH1A1KMT2A
SCHEMBL1760526 0.75 TSHR (0.44) TSHRNPSR1EPHX1TAS1R3TAS1R1

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-8283495-B2 Process for preparing optically active cyclic amines BAYER CROPSCIENCE GMBH (DE) 2012-10-09 US disclosed
EP-1833781-B1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLIC AMINES BAYER CROPSCIENCE AG (DE) 2011-05-18 EP disclosed
EP-1833781-A1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLIC AMINES Bayer CropScience AG (DE) 2007-09-19 EP disclosed
WO-2006072374-A1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLIC AMINES BAYER CROPSCIENCE AG (DE) 2006-07-13 WO disclosed
US-20060149080-A1 Process for preparing optically active cyclic amines BAYER CROPSCIENCE GMBH 2006-07-06 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-20060149080-A1 Process for preparing optically active cyclic amines H1-0, CHRM1, PRMT1 TSHR 229/4885NPSR1 661/4885EPHX1 3505/4885

“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.