SCHEMBL470951

SCHEMBL470951

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 4/20 0.45
EPHX1 P07099 5/20 0.45
ACHE P22303 1/20 0.43
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
KDM1A O60341 1/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL13818489 0.88 DPP4 (0.49) ALDH1A1NPC1MEN1KMT2AEPHX2
SCHEMBL12910026 0.88 DPP4 (0.49) ALDH1A1NPC1MEN1KMT2AEPHX2
SCHEMBL15070413 0.85 ALDH1A1 (0.47) ALDH1A1NPC1MEN1KMT2AEPHX2
SCHEMBL5758149 0.80 EPHX1 (0.46) NPC1EPHX2EPHX1KDM1A
SCHEMBL762451 0.80 ALDH1A1 (0.50) ALDH1A1NPC1MEN1KMT2AEPHX2
SCHEMBL12436970 0.79 EPHX1 (0.43) EPHX2EPHX1KDM1ASMN1; SMN2
SCHEMBL14242822 0.79 ALDH1A1 (0.46) ALDH1A1NPC1MEN1KMT2AEPHX2
SCHEMBL16727320 0.79 CYP2D6 (0.50) EPHX2EPHX1KDM1A
SCHEMBL13319371 0.79 EPHX1 (0.40) EPHX2EPHX1KDM1A
SCHEMBL2606471 0.79 ALDH1A1 (0.39) ALDH1A1NPC1EPHX2EPHX1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3722298-B1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR OSCOTEC INC (KR) 2023-08-02 EP disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
WO-2022083560-A1 TYK2 SELECTIVE INHIBITOR AND USE THEREOF 南京药石科技股份有限公司 2022-04-28 WO disclosed
WO-2021068953-A1 SUBSTITUTED TRICYCLIC COMPOUND AS PRMT5 INHIBITOR AND USE THEREOF 南京圣和药业股份有限公司 2021-04-15 WO disclosed
WO-2020259478-A1 TRICYCLIC COMPOUND AS PRMT5 INHIBITOR AND APPLICATION THEREOF 南京圣和药物研发有限公司 2020-12-30 WO disclosed
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 US disclosed
US-20170137415-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2017-05-18 US disclosed
EP-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 EP disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 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 (6 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 ALDH1A1 2784/4885NPC1 3215/4885MEN1 4737/4885
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S GSK3A, CDK11A, CDK1 ALDH1A1 1576/4885NPC1 4170/4885MEN1 4051/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 ALDH1A1 3580/4885NPC1 2141/4885MEN1 4507/4885
US-20170137415-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS SCN7A, SCN1A, SCN5A ALDH1A1 1842/4885NPC1 1409/4885MEN1 3401/4885
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A ALDH1A1 290/4885NPC1 597/4885MEN1 2603/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 ALDH1A1 3705/4885NPC1 3951/4885MEN1 1281/4885

“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.