SCHEMBL2294993

SCHEMBL2294993

CCC1(c2ccc(F)cc2)CN(C(=O)O)CCO1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
LMNA P02545 1/20 0.38
TACR2 P21452 1/20 0.37
CNR1 P21554 1/20 0.37
FKBP1A P62942 1/20 0.36
OPRM1 P35372 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
AKR1C3 P42330 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RORC P51449 1/20 0.35
PHGDH O43175 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2294998 1.00 HSD11B1 (0.39) HSD11B1LMNATACR2CNR1FKBP1A
SCHEMBL7186563 0.75 TACR2 (0.49) HSD11B1LMNATACR2CNR1MEN1
SCHEMBL2175183 0.69 SLC6A3 (0.40) HSD11B1OPRM1
SCHEMBL5705729 0.68 PKM (0.39) HSD11B1SMN1; SMN2AKR1C3ALDH1A1
SCHEMBL380714 0.67 USP2 (0.41) TACR2ALDH1A1
SCHEMBL380713 0.67 USP2 (0.41) TACR2ALDH1A1
SCHEMBL3541960 0.67 DRD2 (0.49) HSD11B1OPRM1SMN1; SMN2
SCHEMBL4772732 0.67 TACR2 (0.37) HSD11B1TACR2OPRM1SMN1; SMN2RORC
SCHEMBL16970826 0.66 MAPT (0.34) CNR1OPRM1AKR1C3NPC1ALDH1A1
SCHEMBL16970824 0.66 MAPT (0.34) CNR1OPRM1AKR1C3NPC1ALDH1A1

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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 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 (2 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 HSD11B1 1536/4885LMNA 3268/4885TACR2 2327/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 HSD11B1 1536/4885LMNA 3268/4885TACR2 2327/4885

“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.