SCHEMBL1736240

SCHEMBL1736240

O=CC1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.64
▸ ABL1 P00519 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ CYP3A4 P08684 2/20 0.58
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ GPR119 Q8TDV5 1/20 0.55
▸ MEN1 O00255 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MAPT P10636 4/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.49
▸ TMEM97 Q5BJF2 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ HTT P42858 1/20 0.48

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
SCHEMBL1734816 0.82 KDM4E (0.60) KDM4EABL1LMNACYP3A4CYP2C9
SCHEMBL30567092 0.81 KDM4E (0.68) KDM4EABL1LMNACYP3A4CYP2C9
SCHEMBL384759 0.81 KDM4E (0.64) KDM4EABL1LMNACYP3A4CYP2C9
SCHEMBL26387048 0.81 KDM4E (0.64) KDM4EABL1LMNACYP3A4CYP2C9
SCHEMBL29169081 0.81 GPR119 (0.43) KDM4EABL1LMNACYP3A4GPR119
SCHEMBL1351273 0.81 KDM4E (0.68) KDM4EABL1LMNACYP3A4CYP2C9
SCHEMBL1244712 0.81 KDM4E (0.68) KDM4EABL1LMNACYP3A4CYP2C9
SCHEMBL764799 0.81 KDM4E (0.64) KDM4EABL1LMNACYP3A4CYP2C9
SCHEMBL17538374 0.80 KDM4E (0.57) KDM4EABL1LMNACYP3A4CYP2C9
Hydrochloric Acid SCHEMBL29169184 0.79 GPR119 (0.43) KDM4EABL1LMNACYP3A4GPR119

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
CN-112370452-A Heterocyclic amides as kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 — — CN disclosed
CN-107624111-B Heterocyclic amides as kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2020-11-03 — — CN disclosed
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 — — EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 — — US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 — — EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 — — US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 — — US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 — — EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 — — 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 (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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 KDM4E 3316/4885ABL1 4731/4885LMNA 447/4885

“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.

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