SCHEMBL3210967

SCHEMBL3210967

Nc1ccc(C2(C(=O)O)CCNCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.47
OPRM1 P35372 2/20 0.45
HDAC1 Q13547 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TET3 O43151 1/20 0.37
FBXL19 Q6PCT2 1/20 0.37
CXXC5 Q7LFL8 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
CXXC4 Q9H2H0 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
DRD2 P14416 1/20 0.37
MAP4K4 O95819 1/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL350673 0.87 AKR1C1 (0.55) AKR1C1KMT2AMEN1TSHRALDH1A1
SCHEMBL4219088 0.86 OPRM1 (0.42) OPRM1HDAC1KMT2AALDH1A1L3MBTL1
SCHEMBL373567 0.83 AKR1C1 (0.68) AKR1C1OPRM1HDAC1KMT2ATET3
SCHEMBL2817038 0.83 AKR1C1 (0.68) AKR1C1KMT2AMEN1TSHRALDH1A1
SCHEMBL13456896 0.83 AKR1C1 (0.62) AKR1C1KMT2AMEN1TSHRALDH1A1
SCHEMBL378896 0.82 APP (0.50) AKR1C1OPRM1HDAC1KMT2AMEN1
SCHEMBL3032228 0.82 AKR1C1 (0.47) AKR1C1OPRM1HDAC1KMT2AMEN1
SCHEMBL4005636 0.82 DRD2 (0.58) AKR1C1OPRM1KMT2ATET3FBXL19
SCHEMBL6498800 0.82 OPRM1 (0.53) AKR1C1OPRM1HDAC1KMT2AMEN1
Ammonia Solution, Strong SCHEMBL3210975 0.81 AKR1C1 (0.66) AKR1C1OPRM1HDAC1KMT2ATET3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048908-A1 Process for Remifentanil Synthesis MALLINCKRODT INC. 2010-02-25 US disclosed
EP-2125730-A2 NEW PROCESS FOR REMIFENTANIL SYNTHESIS Mallinckrodt Inc. (US) 2009-12-02 EP disclosed
WO-2008066708-A2 NEW PROCESS FOR REMIFENTANIL SYNTHESIS MALLINCKRODT INC. (US) 2008-06-05 WO 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-20100048908-A1 Process for Remifentanil Synthesis OPRM1, OPRL1, OPRK1 AKR1C1 2258/4885OPRM1 1/4885HDAC1 632/4885

“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.