SCHEMBL4024779

SCHEMBL4024779

COC(=O)NNC(=N)CCl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX1 P07099 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
STAT3 P40763 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL20514065 0.81 SMN1; SMN2 (0.45) ALDH1A1GLAGAALMNAHTT
SCHEMBL10947527 0.79
SCHEMBL7784530 0.74 ALDH1A1 (0.47) ATMALDH1A1TDP1GLAGAA
SCHEMBL11101832 0.69
SCHEMBL10566600 0.68 SMN1; SMN2 (0.38) ATMALDH1A1TDP1GLALMNA
SCHEMBL10876978 0.67
SCHEMBL6964169 0.67 GLA (0.32) ATMALDH1A1TDP1GLA
SCHEMBL11650232 0.66 GLA (0.41) ATMALDH1A1TDP1GLAGAA
SCHEMBL6328557 0.64 TSHR (0.52) ALDH1A1GAALMNAHTT
SCHEMBL16229967 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817305-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT PIRAMAL ENTPR LTD (IN) 2016-09-28 EP claimed
US-20160031867-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT Piramal Enterprises Limited (IN) 2016-02-04 US claimed
EP-2817305-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT Piramal Enterprises Limited (IN) 2014-12-31 EP claimed
WO-2013124823-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT Piramal Enterprises Limited (IN) 2013-08-29 WO claimed
EP-2817305-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT PIRAMAL ENTPR LTD (IN) 2016-09-28 EP disclosed
US-20160031867-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT Piramal Enterprises Limited (IN) 2016-02-04 US disclosed
US-20160031867-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT Piramal Enterprises Limited (IN) 2016-02-04 US disclosed
EP-2817305-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT Piramal Enterprises Limited (IN) 2014-12-31 EP disclosed
EP-2817305-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT Piramal Enterprises Limited (IN) 2014-12-31 EP disclosed
WO-2013124823-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT Piramal Enterprises Limited (IN) 2013-08-29 WO disclosed
WO-2013124823-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT Piramal Enterprises Limited (IN) 2013-08-29 WO disclosed
EP-1338592-B1 Novel 2-phenylpiperazine derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 2009-01-21 EP disclosed
US-20030166616-A1 Novel 2-phenylpiperazine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2003-09-04 US disclosed
EP-1338592-A1 Novel 2-phenylpiperazine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2003-08-27 EP disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US disclosed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP disclosed
EP-1242399-A1 $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS UCB S.A. (BE) 2002-09-25 EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO disclosed
WO-2001046167-A1 α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS UCB, S.A. (BE) 2001-06-28 WO disclosed
EP-1110958-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2001-06-27 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 (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-20030166616-A1 Novel 2-phenylpiperazine derivatives VIPR2, BDKRB2, TRPC5 ATM 4301/4885ALDH1A1 3627/4885TDP1 4362/4885
US-20160031867-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT HRH1, HRH2, HRH3 ATM 2985/4885ALDH1A1 856/4885TDP1 2578/4885
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 ATM 2521/4885ALDH1A1 732/4885TDP1 2921/4885

“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.