SCHEMBL4677326

SCHEMBL4677326

CC[C@@]1(Cc2ccc(OC(F)F)cc2)CN(C(=O)OC(C)(C)C)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 2/20 0.37
KDM1A O60341 3/20 0.36
PDE4D Q08499 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RET P07949 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CACNA1H O95180 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
RORC P51449 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
SCHEMBL4677109 1.00 F2RL1 (0.37) F2RL1KDM1APDE4DGPR119LMNA
SCHEMBL905784 0.75 ALDH1A1 (0.36) LMNAALDH1A1
SCHEMBL905785 0.75 ALDH1A1 (0.36) LMNAALDH1A1
SCHEMBL6039864 0.73 JAK2 (0.43) GPR119SMN1; SMN2RORC
Fumaric Acid SCHEMBL4681056 0.71 ALDH1A1 (0.39) LMNAMAPTSMN1; SMN2ALDH1A1
Fumaric Acid SCHEMBL4681059 0.71 ALDH1A1 (0.39) LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL31084030 0.70 RORC (0.42) RORC
SCHEMBL7078017 0.70 MAPT (0.60) GPR119LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL31084017 0.69 RORC (0.38) PDE4DGPR119RETALDH1A1RORC
SCHEMBL22032771 0.69 TGM2 (0.60) GPR119LMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed
US-7022707-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20040235859-A1 Novel piperazine derivatives ADAMS DAVID REGINALD (GB) 2004-11-25 US disclosed
EP-1343775-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-17 EP disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 US disclosed
WO-2002048124-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 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 (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-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 F2RL1 3401/4885KDM1A 521/4885PDE4D 250/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 F2RL1 3401/4885KDM1A 521/4885PDE4D 250/4885

“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.