SCHEMBL10046702

SCHEMBL10046702

CN(C)[C@H]1C[C@@H](C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.39
CYP2C19 P33261 3/20 0.36
GABRR1 P24046 2/20 0.36
CYP2D6 P10635 3/20 0.34
CYP1A2 P05177 3/20 0.34
ALOX15 P16050 3/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
TSHR P16473 3/20 0.33
PMP22 Q01453 2/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33

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
SCHEMBL24161967 1.00 APLNR (0.39) APLNRCYP2C19GABRR1CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL16039214 0.97 APLNR (0.37) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL22967525 0.83 ACE (0.39) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL2389205 0.83 ACE (0.39) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL31731986 0.83 ACE (0.39) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL10046703 0.83 ACE (0.39) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL7658314 0.81 BTK (0.42) APLNRGABRR1TSHRPMP22GABRP
SCHEMBL24161970 0.79 ALDH1A1 (0.36) TSHRL3MBTL3ALDH1A1
SCHEMBL4969805 0.78 APLNR (0.39) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL4008610 0.77 LMNA (0.43) APLNRCYP2C19GABRR1TSHRPMP22

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-20120022371-A1 Compositions and methods for detecting and treating tumors containing acidic areas SUMMERTON JAMES EDWARD (US) 2012-01-26 US disclosed
US-8084610-B2 Compositions and methods for detecting and treating tumors containing acidic areas SUMMERTON JAMES EDWARD (US) 2011-12-27 US disclosed
US-20080124274-A1 Compositions and methods for detecting and treating tumors containing acidic areas SUMMERTON JAMES EDWARD 2008-05-29 US disclosed
US-20070286803-A1 Compositions and methods for detecting and treating tumors containing acidic areas SUMMERTON JAMES EDWARD 2007-12-13 US disclosed
US-20070231256-A1 Compositions and methods for detecting and treating tumors containing acidic areas SUMMERTON JAMES E 2007-10-04 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-20120022371-A1 Compositions and methods for detecting and treating tumors containing acidic areas CA1, CA14, CA12 APLNR 373/4885CYP2C19 4802/4885GABRR1 1494/4885

“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.