SCHEMBL201045

SCHEMBL201045

CC(C)(Oc1ccc(C(F)(F)F)cn1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CNR1 P21554 5/20 0.49
CNR2 P34972 1/20 0.48
PPARA Q07869 5/20 0.48
PPARD Q03181 4/20 0.48
PPARG P37231 3/20 0.48
RAB9A P51151 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
LIPE Q05469 2/20 0.46
MAP4K4 O95819 1/20 0.46
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.43

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
Hydrochloric Acid SCHEMBL199908 0.98 LMNA (0.49) LMNACNR1CNR2PPARAPPARD
SCHEMBL3476037 0.89 MAP4K4 (0.45) LMNACNR1CNR2PPARAPPARD
SCHEMBL199907 0.86 LMNA (0.49) LMNACNR1CNR2RAB9AMRGPRX4
SCHEMBL3584331 0.86 KMT2A (0.51) LMNACNR1CNR2RAB9AMRGPRX4
SCHEMBL524841 0.81 POLB (0.51) LMNACNR1CNR2PPARARAB9A
SCHEMBL3474425 0.81 MAP4K4 (0.48) PPARAPPARDPPARGMAP4K4KMT2A
SCHEMBL524840 0.80 LMNA (0.47) LMNACNR1CNR2RAB9AMRGPRX4
SCHEMBL8303082 0.80 LIPE (0.49) LMNACNR1CNR2RAB9AMRGPRX4
SCHEMBL2737128 0.80 TSHR (0.51) LMNARAB9AMRGPRX4LIPEKMT2A
SCHEMBL3475307 0.79 MAP4K4 (0.49) PPARAPPARDPPARGRAB9AMAP4K4

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598491-B1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1- CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE- 1 INHIBITORS CADILA HEALTHCARE LTD (IN) 2015-09-02 EP disclosed
US-8871765-B2 Substituted 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one derivatives as poly (ADP-ribose) polymerase-1 inhibitors CADILA HEALTHCARE LIMITED (IN) 2014-10-28 US disclosed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 US disclosed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 US disclosed
EP-2598491-A1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1- CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE- 1 INHIBITORS Cadila Healthcare Limited (IN) 2013-06-05 EP disclosed
US-20130137695-A1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1-CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE-1 INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2013-05-30 US disclosed
EP-2548874-A2 Substituted piperazines as CB1 antagonists Intervet International B.V. (NL) 2013-01-23 EP disclosed
EP-1575901-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
EP-1575901-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
WO-2012014221-A1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1- CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE- 1 INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2012-02-02 WO disclosed
US-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 US disclosed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US disclosed
EP-1575901-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (a New Jersey corp.) (US) 2005-09-21 EP disclosed
CN-1639112-A Substituted amides having cannabinoid-1 receptor activity MERCK & CO INC (US) 2005-07-13 CN disclosed
WO-2005009479-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-02-03 WO disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2004058145-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2004-07-15 WO disclosed
WO-2004048317-A1 SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR MERCK & CO., INC. (US) 2004-06-10 WO disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 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-20130137695-A1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1-CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE-1 INHIBITORS PARP1, PARP2, PARP11 LMNA 678/4885CNR1 3249/4885CNR2 3875/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG LMNA 1882/4885CNR1 1/4885CNR2 2/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH LMNA 1615/4885CNR1 1/4885CNR2 2/4885

“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.