SCHEMBL2137893

SCHEMBL2137893

CC(C)(C)OC(=O)N1CCN(Cc2ccccn2)CC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.68
▸ KDM4E B2RXH2 6/20 0.68
▸ MAPT P10636 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.54
▸ GPR119 Q8TDV5 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ CHRM2 P08172 1/20 0.52
▸ CHRM4 P08173 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ CHRM3 P20309 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HRH1 P35367 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50

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
SCHEMBL26757990 0.95 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL3954399 0.88 THRB (0.58) ALDH1A1KDM4EGPR119POLBCHRM2
SCHEMBL9221205 0.88 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL5714160 0.85 ACKR3 (0.52) ALDH1A1KDM4EGPR119POLBCHRM2
SCHEMBL20097550 0.85 ALDH1A1 (0.73) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL17986173 0.85 KDM4E (0.55) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL3956276 0.85 GPR119 (0.54) ALDH1A1KDM4EGPR119POLBCHRM2
SCHEMBL28078173 0.84 KDM4E (0.50) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL30521135 0.82 GPR119 (0.54) ALDH1A1KDM4EGPR119POLBCHRM2
SCHEMBL28705806 0.82 GPR119 (0.54) ALDH1A1KDM4EGPR119POLBCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001344-B Piperazine derivatives for the treatment of disorders 艾科耐特有限公司 2021-02-26 — — CN disclosed
EP-3131886-B1 PIPERAZINE DERIVATIVES FOR TREATING DISORDERS EXONATE LTD (GB) 2020-09-09 — — EP disclosed
EP-3131886-B1 PIPERAZINE DERIVATIVES FOR TREATING DISORDERS EXONATE LTD (GB) 2020-09-09 — — EP disclosed
US-9932330-B2 Piperazine derivatives for treating disorders THE UNIVERSITY OF NOTTINGHAM (GB) 2018-04-03 — — US disclosed
US-9932330-B2 Piperazine derivatives for treating disorders THE UNIVERSITY OF NOTTINGHAM (GB) 2018-04-03 — — US disclosed
US-9932330-B2 Piperazine derivatives for treating disorders THE UNIVERSITY OF NOTTINGHAM (GB) 2018-04-03 — — US disclosed
US-20180044331-A1 PIPERAZINE DERIVATIVES FOR TREATING DISORDERS EXONATE LIMITED (GB) 2018-02-15 — — US disclosed
US-20180044331-A1 PIPERAZINE DERIVATIVES FOR TREATING DISORDERS EXONATE LIMITED (GB) 2018-02-15 — — US disclosed
US-20180044331-A1 PIPERAZINE DERIVATIVES FOR TREATING DISORDERS EXONATE LIMITED (GB) 2018-02-15 — — US disclosed
US-9796707-B2 Piperazine derivatives for treating disorders THE UNIVERSITY OF NOTTINGHAM (GB) 2017-10-24 — — US disclosed
EP-2445495-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS Bioversys AG (CH) 2012-05-02 — — EP disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 — — US disclosed
WO-2012019430-A1 PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 — — WO disclosed
WO-2012012314-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-26 — — WO disclosed
WO-2010149761-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BIOVERSYS GMBH (CH) 2010-12-29 — — WO disclosed
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2010-07-01 — — US disclosed
EP-1684694-A2 AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2006-08-02 — — EP disclosed
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline ARRAY BIOPHARMA INC. 2005-06-16 — — US disclosed
WO-2005051304-A2 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-06-09 — — WO disclosed
EP-0528172-A1 (2-Alkyl-3-pyridyl)methylpiperazine derivatives as PAF antagonists J. URIACH & CIA. S.A. (ES) 1993-02-24 — — EP 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 (4 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-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS PRMT7, NCOA3, PRMT3 ALDH1A1 3428/4885KDM4E 930/4885MAPT 2520/4885
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 ALDH1A1 3849/4885KDM4E 2590/4885MAPT 3331/4885
US-20180044331-A1 PIPERAZINE DERIVATIVES FOR TREATING DISORDERS PGF, GAP43, VHL ALDH1A1 1203/4885KDM4E 2903/4885MAPT 222/4885
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline MTOR, CDK2, CLK2 ALDH1A1 3868/4885KDM4E 1872/4885MAPT 3207/4885

“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.

Send feedback