SCHEMBL5148677

SCHEMBL5148677

COc1cc(C[C@H](NC(C)=O)C(=O)O)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.52
FPR2 P25090 2/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 5/20 0.47
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX15 P16050 1/20 0.46
GAA P10253 1/20 0.46
LPAR1 Q92633 1/20 0.46
ATM Q13315 1/20 0.45
TACR1 P25103 2/20 0.45

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
SCHEMBL5148682 1.00 LDHA (0.52) LDHAFPR2ITGB3ITGA2BLMNA
SCHEMBL5148667 1.00 LDHA (0.52) LDHAFPR2ITGB3ITGA2BLMNA
SCHEMBL2516039 0.90 LDHA (0.66) LDHAFPR2ITGB3ITGA2BLMNA
SCHEMBL3419160 0.90 LDHA (0.66) LDHAFPR2ITGB3ITGA2BLMNA
SCHEMBL2516037 0.90 LDHA (0.66) LDHAFPR2ITGB3ITGA2BLMNA
Water SCHEMBL9352790 0.89 LDHA (0.64) LDHAFPR2ITGB3ITGA2BLMNA
SCHEMBL17263679 0.89 LDHA (0.47) LDHAFPR2ALDH1A1KMT2AALOX15
SCHEMBL11316963 0.88 FOS (0.56) LDHAFPR2ITGB3ITGA2BLMNA
SCHEMBL11316966 0.88 FOS (0.56) LDHAFPR2ITGB3ITGA2BLMNA
SCHEMBL5372226 0.86 ACACB (0.57) LDHAFPR2ITGB3ITGA2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229992-B2 Process for the preparation of a piperazine derivative ASTELLAS PHARMA INC. (JP) 2007-06-12 US disclosed
US-20070123532-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2007-05-31 US disclosed
US-7166598-B2 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases such as asthma, emesis, an anxiety disorder, pollakiuria, urinary incontinence and irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2007-01-23 US disclosed
EP-1140924-B1 PIPERAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2006-03-22 EP disclosed
US-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-01-19 US disclosed
US-20030153753-A1 Process for the preparation of a piperazine derivative ASTELLAS PHARMA INC. (JP) 2003-08-14 US disclosed
EP-1295882-A1 PROCESS FOR THE PREPARATION OF A PIPERAZINE DERIVATIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 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 (3 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-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals PKD2, TAC3, PKD1 LDHA 4796/4885FPR2 228/4885ITGB3 2056/4885
US-20030153753-A1 Process for the preparation of a piperazine derivative TET2, ALKBH2, TOP2B LDHA 3580/4885FPR2 3675/4885ITGB3 3063/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 LDHA 4598/4885FPR2 473/4885ITGB3 4094/4885

“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.