SCHEMBL1658644

SCHEMBL1658644

CC1(C)C(/C=C/C=C/Nc2ccccc2)=[N+](CCCS(=O)(=O)O)c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
OPRK1 P41145 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HRH2 P25021 2/20 0.39
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADRB1 P08588 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CNR1 P21554 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
BDKRB2 P30411 1/20 0.39

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
SCHEMBL1658645 1.00 PTPN1 (0.41) PTPN1CHRM1CHRM3OPRK1HRH3
SCHEMBL14404492 0.99 PTPN1 (0.41) PTPN1CHRM1CHRM3OPRK1HRH3
SCHEMBL7018706 0.99 PTPN1 (0.41) PTPN1CHRM1CHRM3OPRK1HRH3
SCHEMBL13567272 0.94 MEN1 (0.43) PTPN1CHRM1CHRM3OPRK1HRH3
SCHEMBL1656266 0.94 MEN1 (0.43) PTPN1CHRM1CHRM3OPRK1HRH3
SCHEMBL3901072 0.93 MEN1 (0.42) PTPN1CHRM1CHRM3OPRK1HRH3
SCHEMBL3901077 0.93 MEN1 (0.42) PTPN1CHRM1CHRM3OPRK1HRH3
SCHEMBL3901075 0.93 MEN1 (0.42) PTPN1CHRM1CHRM3OPRK1HRH3
SCHEMBL1715260 0.91 HRH2 (0.42) PTPN1CHRM1CHRM3OPRK1HRH3
SCHEMBL1715259 0.91 HRH2 (0.42) PTPN1CHRM1CHRM3OPRK1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160356681-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Life Technologies Corporation 2016-12-08 US disclosed
US-9423323-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2016-08-23 US disclosed
US-20150247785-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Life Technologies Corporation 2015-09-03 US disclosed
US-20150247785-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Life Technologies Corporation 2015-09-03 US disclosed
US-20150218380-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Life Technologies Corporation 2015-08-06 US disclosed
US-9018396-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2015-04-28 US disclosed
EP-1322710-B2 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES LIFE TECHNOLOGIES CORP (US) 2015-02-18 EP disclosed
US-8614302-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2013-12-24 US disclosed
US-8569506-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2013-10-29 US disclosed
EP-2325263-B1 Modified carbocyanine dyes and their conjugates LIFE TECHNOLOGIES CORP (US) 2013-01-23 EP disclosed
EP-1322710-B9 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES MOLECULAR PROBES INC (US) 2007-07-25 EP disclosed
EP-1801165-A2 Modified carbocyanine dyes and their conjugates Molecular Probes, Inc. (US) 2007-06-27 EP disclosed
EP-1770129-A2 Modified carbocyanine dyes and their conjugates Molecular Probes, Inc. (US) 2007-04-04 EP disclosed
EP-1322710-B1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES MOLECULAR PROBES INC (US) 2007-01-24 EP disclosed
US-20060099638-A1 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. 2006-05-11 US disclosed
US-20060004188-A1 Intermediates and the synthesis of modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. 2006-01-05 US disclosed
US-6977305-B2 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. (US) 2005-12-20 US disclosed
US-6974873-B2 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. (US) 2005-12-13 US disclosed
US-20020077487-A1 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. 2002-06-20 US disclosed
US-20020064794-A1 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. 2002-05-30 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 (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-20020077487-A1 Modified carbocyanine dyes and their conjugates IK, CBR3, DRD5 PTPN1 2599/4885CHRM1 309/4885CHRM3 158/4885
US-20160356681-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 PTPN1 2599/4885CHRM1 309/4885CHRM3 158/4885
US-20150218380-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 PTPN1 2599/4885CHRM1 309/4885CHRM3 158/4885
US-20150247785-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 PTPN1 2599/4885CHRM1 309/4885CHRM3 158/4885
US-20060004188-A1 Intermediates and the synthesis of modified carbocyanine dyes and their conjugates CBR3, IK, CYBA PTPN1 3667/4885CHRM1 716/4885CHRM3 512/4885
US-20060099638-A1 Modified carbocyanine dyes and their conjugates IK, CBR3, DRD5 PTPN1 2599/4885CHRM1 309/4885CHRM3 158/4885

“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.