SCHEMBL3917010

SCHEMBL3917010

c1ccc2nc(CN3CCNCCNCC3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.57
CYP3A4 P08684 3/20 0.54
HTR1A P08908 2/20 0.54
HTR7 P34969 2/20 0.54
CYP1A2 P05177 2/20 0.54
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 2/20 0.54
SLC6A4 P31645 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
USP2 O75604 1/20 0.54
HTR3B O95264 1/20 0.54
ALDH1A1 P00352 1/20 0.54
ADRB1 P08588 1/20 0.54
HTR2C P28335 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
HTR3A P46098 1/20 0.54
HTR6 P50406 1/20 0.54
PMP22 Q01453 1/20 0.54
HTR3D Q70Z44 1/20 0.54

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
SCHEMBL29756443 0.98 CYP3A4 (0.55) CXCR4CYP3A4HTR1AHTR7CYP1A2
SCHEMBL2170401 0.98 CYP3A4 (0.55) CXCR4CYP3A4HTR1AHTR7CYP1A2
SCHEMBL6583960 0.93 CXCR4 (0.65) CXCR4CYP3A4HTR1AHTR7CYP1A2
SCHEMBL1968824 0.90 HRH3 (0.55) CXCR4CYP3A4HTR1AHTR7CYP1A2
SCHEMBL1972333 0.89 FAAH (0.50) CXCR4CYP3A4HTR1AHTR7CYP1A2
SCHEMBL1331198 0.87 FAAH (0.65) CXCR4HTR1AHTR7FAAHDRD4
SCHEMBL17289123 0.87 FAAH (0.65) CXCR4HTR1AHTR7FAAHDRD4
SCHEMBL11785110 0.83 SLC6A4 (0.56) CYP3A4HTR1AHTR7CYP1A2KDM4E
SCHEMBL6584608 0.82 FAAH (0.60) CYP3A4HTR1AHTR7CYP1A2KDM4E
SCHEMBL27140396 0.82 FAAH (0.57) CYP3A4HTR1AHTR7CYP1A2KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259588-A2 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2002-11-27 EP claimed
EP-1259522-A1 LIGAND AND COMPLEX FOR CATALYTICALLY BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2002-11-27 EP claimed
WO-2001064697-A1 LIGAND AND COMPLEX FOR CATALYTICALLY BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-09-07 WO claimed
WO-2001064826-A2 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-09-07 WO claimed
EP-3186260-B1 METAL COORDINATION COMPLEX FOR DETECTION OF VAPORS AND ANIONS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2018-10-10 EP disclosed
US-9891200-B2 Metal coordination complex for detection of vapors and anions and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-02-13 US disclosed
US-20170284986-A1 METAL COORDINATION COMPLEX FOR DETECTION OF VAPORS AND ANIONS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-10-05 US disclosed
EP-3186260-A1 METAL COORDINATION COMPLEX FOR DETECTION OF VAPORS AND ANIONS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2017-07-05 EP disclosed
WO-2016056027-A1 METAL COORDINATION COMPLEX FOR DETECTION OF VAPORS AND ANIONS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-04-14 WO disclosed
EP-2038356-A1 LIQUID HARDENING Unilever PLC (GB) 2009-03-25 EP disclosed
WO-2008003652-A1 LIQUID HARDENING UNILEVER PLC (GB) 2008-01-10 WO disclosed
EP-1259522-A1 LIGAND AND COMPLEX FOR CATALYTICALLY BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2002-11-27 EP disclosed
WO-2001064697-A1 LIGAND AND COMPLEX FOR CATALYTICALLY BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-09-07 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 (1 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-20170284986-A1 METAL COORDINATION COMPLEX FOR DETECTION OF VAPORS AND ANIONS AND PROCESS FOR THE PREPARATION THEREOF VAPA, VAPB, VDAC1 CXCR4 1377/4885CYP3A4 3256/4885HTR1A 4783/4885

“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.