SCHEMBL153456

SCHEMBL153456

CN1CCCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.61
KDM4E B2RXH2 2/20 0.59
TP53 P04637 1/20 0.59
NCF1 P14598 1/20 0.58
CHKA P35790 2/20 0.57
LMNA P02545 1/20 0.54
ALDH1A1 P00352 2/20 0.50
ADRA2C P18825 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
GFER P55789 1/20 0.50
KMT2A Q03164 1/20 0.50
PTK2B Q14289 1/20 0.50
ESR2 Q92731 1/20 0.50
CHRNA10 Q9GZZ6 1/20 0.50
CHRNA9 Q9UGM1 1/20 0.50
MAP4K1 Q92918 1/20 0.48
HRH4 Q9H3N8 3/20 0.46
RAB9A P51151 1/20 0.45
HTR1A P08908 1/20 0.45

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
SCHEMBL151261 0.93 CHEK1 (0.68) CHEK1KDM4ETP53ALDH1A1ADRA2C
SCHEMBL7402909 0.87 KDM4E (0.68) CHEK1KDM4ETP53LMNAALDH1A1
SCHEMBL12634627 0.83 CHEK1 (0.58) CHEK1KDM4ETP53ALDH1A1ADRA2C
SCHEMBL154178 0.83 KDM4E (0.68) CHEK1KDM4ETP53CHKALMNA
SCHEMBL2384959 0.83 KDM4E (0.80) CHEK1KDM4ETP53ALDH1A1CHRNA10
SCHEMBL16172594 0.82 KDM4E (0.58) CHEK1KDM4ETP53ALDH1A1ADRA2C
SCHEMBL149656 0.81 KDM4E (0.66) CHEK1KDM4ETP53CHKALMNA
SCHEMBL139427 0.81 KDM4E (0.66) CHEK1KDM4ETP53CHKALMNA
SCHEMBL17876412 0.78 KDM4E (0.67) CHEK1KDM4ETP53ALDH1A1MAPT
SCHEMBL82022 0.78 CHKA (0.64) KDM4ENCF1CHKALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698432-B Benzyl piperazine compound, preparation method thereof and application thereof in antivirus 中国医学科学院医药生物技术研究所 2023-02-03 CN claimed
CN-110698432-B Benzyl piperazine compound, preparation method thereof and application thereof in antivirus 中国医学科学院医药生物技术研究所 2023-02-03 CN disclosed
EP-3125903-B1 METHOD FOR USE OF HOMOPIPERAZINIUM COMPOUNDS IN THE TREATMENT OF CANCER UNIV LAVAL (CA) 2018-12-19 EP disclosed
US-20180235978-A1 METHOD FOR USE OF HOMOPIPERAZINIUM COMPOUNDS IN THE TREATMENT OF CANCER UNIVERSITé LAVAL (CA) 2018-08-23 US disclosed
US-9949984-B2 Method for use of homopiperazinium compounds in the treatment of cancer UNIVERSITé LAVAL (CA) 2018-04-24 US disclosed
US-20170173040-A1 METHOD FOR USE OF HOMOPIPERAZINIUM COMPOUNDS IN THE TREATMENT OF CANCER UNIVERSITé LAVAL (CA) 2017-06-22 US disclosed
EP-3125903-A1 METHOD FOR USE OF HOMOPIPERAZINIUM COMPOUNDS IN THE TREATMENT OF CANCER Université Laval (CA) 2017-02-08 EP disclosed
WO-2015149178-A1 METHOD FOR USE OF HOMOPIPERAZINIUM COMPOUNDS IN THE TREATMENT OF CANCER UNIVERSITé LAVAL (CA) 2015-10-08 WO disclosed
US-8735494-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2014-05-27 US disclosed
US-20130085227-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2013-04-04 US disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed
EP-1415990-B1 Diazepan derivatives useful as factor X inhibitor ASTELLAS PHARMA INC (JP) 2006-09-20 EP disclosed
WO-2006092510-A1 HYDRAZINOCARBONYL-THIENO[2,3-C]PYRAZOLES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USE AVENTIS PHARMA S.A. (FR) 2006-09-08 WO disclosed
EP-1273575-B1 DIAZEPANE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2004-05-19 EP disclosed
EP-1415990-A1 Diazepan derivatives useful as factor X inhibitor YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-05-06 EP disclosed
US-20040068109-A1 Diazepan derivatives or salts thereof YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 US disclosed
US-6642224-B1 Diazepan derivatives or salts thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
US-20030195193-A1 Diazepane derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2003-10-16 US disclosed
EP-1273575-A1 DIAZEPANE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-01-08 EP disclosed
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US 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-20030195193-A1 Diazepane derivatives or salts thereof F10, F11, SERPINC1 CHEK1 4075/4885KDM4E 482/4885TP53 4794/4885
US-20170173040-A1 METHOD FOR USE OF HOMOPIPERAZINIUM COMPOUNDS IN THE TREATMENT OF CANCER HCCS, XDH, XPA CHEK1 378/4885KDM4E 2384/4885TP53 603/4885
US-20180235978-A1 METHOD FOR USE OF HOMOPIPERAZINIUM COMPOUNDS IN THE TREATMENT OF CANCER MGMT, KAT5, KAT2B CHEK1 473/4885KDM4E 351/4885TP53 723/4885
US-20040068109-A1 Diazepan derivatives or salts thereof F10, SERPINC1, F11 CHEK1 4104/4885KDM4E 338/4885TP53 4813/4885

“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.