SCHEMBL4530764

SCHEMBL4530764

Oc1ccccc1C1CCNC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
HTR2C P28335 4/20 0.47
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL3646756 0.89 IKBKB (0.49) CHRNB2CHRNA4
SCHEMBL614050 0.88 HTR2C (0.60) HTR2CSLC18A3SIGMAR1
Bromide SCHEMBL566685 0.87 IKBKB (0.48) CHRNB2CHRNA4
Bromide SCHEMBL6921806 0.86 HTR2C (0.58) HTR2CSLC18A3SIGMAR1
SCHEMBL22608987 0.84 CHRNB2 (0.47) CHRNB2CHRNA4HTR2C
SCHEMBL28533805 0.82 HTR2C (0.57) HTR2CCHRNB4CHRNA3SLC18A3SIGMAR1
SCHEMBL5839494 0.77 HTR2C (0.47) HTR2CCHRNB4CHRNA3SLC18A3SIGMAR1
SCHEMBL29890520 0.77 HTR2C (0.79) HTR2C
SCHEMBL22928263 0.77 HTR3A (0.52) HTR2CCHRNB4CHRNA3SLC18A3SIGMAR1
SCHEMBL29698867 0.77 HTR1A (0.50) CHRNB2CHRNA4HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106565697-B A kind of lysosome positioning fluorescence probe, preparation method and the application in near-infrared ratio test arginine 郑州大学 2019-02-26 CN claimed
CN-106565697-A Lysosome positioning fluorescence probe, preparation method, and application in arginine detection in near infrared ratio 郑州大学 2017-04-19 CN claimed
EP-0853079-B1 Production of keto acids CIBA SC HOLDING AG (CH) 2002-06-05 EP claimed
CN-115417751-A Method for hydroxylation of benzene ring C-H phenol 中山大学 2022-12-02 CN disclosed
CN-107037018-B A kind of application of the lysosome positioning fluorescence probe in near-infrared ratio test hydrazine 郑州大学 2019-07-30 CN disclosed
CN-106947467-B It is a kind of to detect arginic up-conversion luminescence nanosensor material and the application in arginine detection 郑州大学 2019-07-05 CN disclosed
CN-106565697-B A kind of lysosome positioning fluorescence probe, preparation method and the application in near-infrared ratio test arginine 郑州大学 2019-02-26 CN disclosed
CN-107037018-A A kind of application of lysosome positioning fluorescence probe in near-infrared ratio test hydrazine 郑州大学 2017-08-11 CN disclosed
CN-106947467-A It is a kind of to detect arginic up-conversion luminescence nanosensor material and the application in arginine detection 郑州大学 2017-07-14 CN disclosed
CN-106565697-A Lysosome positioning fluorescence probe, preparation method, and application in arginine detection in near infrared ratio 郑州大学 2017-04-19 CN disclosed
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 WO disclosed
US-6713622-B1 CONTACTING A 4,7-DICHLORORHODAMINE DYE COMPRISING A LINKING GROUP WITH A POLYNUCLEOTIDE COMPRISING A TERMINAL FUNCTIONALITY COMPLEMENTARY TO THE LINKING GROUP APPLERA CORPORATION 2004-03-30 US disclosed
EP-1386946-A1 4,7-dichlororhodamine dyes useful as molecular probes Applera Corporation (US) 2004-02-04 EP disclosed
US-20030008874-A1 1,3 disubstituted pyrrolidines as alpha -2- adrenoceptor antagonists NOVARTIS AG (CH) 2003-01-09 US disclosed
EP-1257547-A1 1,3-DISUBSTITUTED PYRROLIDINES AS ALPHA-2-ADRENOCEPTOR ANTAGONISTS Novartis AG (CH) 2002-11-20 EP disclosed
EP-1165694-A1 4,7-DICHLORORHODAMINE DYES USEFUL AS MOLECULAR PROBES PE Corporation (NY) (US) 2002-01-02 EP disclosed
WO-2001055132-A1 1,3-DISUBSTITUTED PYRROLIDINES AS ALPHA-2-ADRENOCEPTOR ANTAGONISTS NOVARTIS AG (CH) 2001-08-02 WO disclosed
WO-2000058406-A1 4,7-DICHLORORHODAMINE DYES USEFUL AS MOLECULAR PROBES PE CORPORATION (NY) (US) 2000-10-05 WO disclosed
US-6080852-A FLUORESCENT DYES WITH NARROWER EMISSION SPECTRA AND WHICH ARE SHIFTED TO THE RED; FOR USE IN DIDEOXYNUCLEOTIDE SEQUENCING THE PERKIN-ELMER CORPORATION (US) 2000-06-27 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 (2 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-20030008874-A1 1,3 disubstituted pyrrolidines as alpha -2- adrenoceptor antagonists ADRB2, ADRB1, ADRA1A CHRNB2 43/4885CHRNA4 51/4885HTR2C 248/4885
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR HTR1A, HTR6, HTR2A CHRNB2 166/4885CHRNA4 207/4885HTR2C 12/4885

“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.