SCHEMBL293030

SCHEMBL293030

CCCCCN1CC[CH]CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.52
GNAO1 P09471 6/20 0.52
GNAI1 P63096 6/20 0.52
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
KCNH2 Q12809 1/20 0.42
HTR1A P08908 1/20 0.41
EBP Q15125 1/20 0.41
GUSB P08236 1/20 0.41

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
SCHEMBL9766420 0.98 GNAI3 (0.55) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL8805965 0.98 GNAI3 (0.55) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL28783280 0.98 GNAI3 (0.55) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL4629578 0.98 GNAI3 (0.55) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL2103662 0.93 GNAI3 (0.43) GNAI3GNAO1GNAI1ALDH1A1CYP1A2
SCHEMBL7538960 0.92 GNAI3 (0.46) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL1081412 0.86 GNAO1 (0.44) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL16799683 0.85 GNAO1 (0.47) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL727664 0.82
SCHEMBL1043043 0.82 GNAI3 (0.70) GNAI3GNAO1GNAI1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077387-B1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2017-12-20 EP claimed
US-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE 2017-07-06 US claimed
US-9562035-B2 Benzamide derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-02-07 US claimed
EP-3077387-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER Janssen Pharmaceutica, N.V. (BE) 2016-10-12 EP claimed
US-20160009688-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-14 US claimed
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2015-08-20 US claimed
EP-2906221-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF Southern Research Institute (US) 2015-08-19 EP claimed
WO-2015084606-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2015-06-11 WO claimed
CN-102153544-B Preparation method and application of novel tyrosine kinase inhibitors SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2015-04-29 CN claimed
WO-2014059265-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2014-04-17 WO claimed
JP-4613157-B2 2011-01-12 JP claimed
EP-1615878-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2007-09-19 EP claimed
US-20070066626-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-03-22 US claimed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US claimed
JP-2006515884-A 2006-06-08 JP claimed
EP-1615878-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2006-01-18 EP claimed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 US claimed
WO-2004064730-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-08-05 WO claimed
EP-1129073-A2 PROCESS AND INTERMEDIATES FOR PRODUCTION OF DONEPEZIL AND RELATED COMPOUNDS Finetech Ltd (IL) 2001-09-05 EP claimed
WO-2000009483-A2 PROCESS AND INTERMEDIATES FOR PRODUCTION OF DONEPEZIL AND RELATED COMPOUNDS FINETECH LTD. (IL) 2000-02-24 WO claimed

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-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF HTR2C, HTR4, HTR2A GNAI3 2216/4885GNAO1 1702/4885GNAI1 2909/4885
US-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 GNAI3 1971/4885GNAO1 2092/4885GNAI1 2000/4885
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF DRD2, CHRM2, NPY2R GNAI3 1515/4885GNAO1 2104/4885GNAI1 2011/4885
US-20070066626-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 GNAI3 1819/4885GNAO1 2013/4885GNAI1 1898/4885
US-20160009688-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, FABP1, BCL3 GNAI3 2940/4885GNAO1 3267/4885GNAI1 2771/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 GNAI3 1819/4885GNAO1 2013/4885GNAI1 1898/4885

“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.