SCHEMBL1893546

SCHEMBL1893546

CC(Cc1ccccc1)N=C=N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
TAAR1 Q96RJ0 4/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
MAOA P21397 2/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
CYP2D6 P10635 2/20 0.44
SLC18A2 Q05940 1/20 0.44
TRPA1 O75762 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1A P35348 2/20 0.40
OPRK1 P41145 2/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL8762408 0.80 MIF (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL2729032 0.80 SLC6A2 (0.48) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL21056125 0.80 SLC6A2 (0.48) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL27515553 0.80 SLC6A2 (0.48) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL14391570 0.77 SIGMAR1 (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL5466644 0.72 TAAR1 (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL27829875 0.72 SIGMAR1 (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL888150 0.72 HTR2A (0.44) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL5166156 0.71 TAAR1 (0.50) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL28150610 0.71 TAAR1 (0.50) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4716223-A LACTONIZATION FIDIA, S.P.A. (IT) 1987-12-29 US claimed
EP-0072722-B1 A METHOD FOR PREPARING GANGLIOSIDE DERIVATIVES AND USE THEREOF IN PHARMACEUTICAL COMPOSITIONS FIDIA S.p.A. (IT) 1986-06-04 EP claimed
US-4593091-A Ion exchanging; forming lactonic bond FIDIA, S.P.A. (IT) 1986-06-03 US claimed
EP-0072722-A2 A method for preparing ganglioside derivatives and use thereof in pharmaceutical compositions FIDIA S.p.A. (IT) 1983-02-23 EP claimed
EP-0072286-A1 Organic amide compounds derived from nitrogenous lipids FIDIA S.p.A. (IT) 1983-02-16 EP claimed
US-7947309-B2 Use of hyaluronic acid polymers for mucosal delivery of vaccine antigens and adjuvants FIDIA FARMACEUTICI S.P.A (IT) 2011-05-24 US disclosed
US-20100080823-A1 Use of hyaluronic acid polymers for mucosal delivery of vaccine antigens and adjuvants NOVARTIS VACCINES AND DIAGNOSTICS SRL (IT) 2010-04-01 US disclosed
US-20050226937-A1 Use of hyaluronic acid polymers for mucosal delivery of vaccine and adjuvants CHIRON CORPORATION (US) 2005-10-13 US disclosed
EP-1082135-B1 USE OF HYALURONIC ACID POLYMERS FOR MUCOSAL DELIVERY OF VACCINE ANTIGENS AND ADJUVANTS CHIRON CORP (US) 2004-12-22 EP disclosed
US-6824793-B1 BIOADHESIVE PROPERTIES OF THE HYALURONIC ACID POLYMERS DECREASE THE RATE OF MUCOCILIARY CLEARANCE FROM THE NASAL CAVITY AND THUS ALLOW A LONGER CONTACT TIME BETWEEN THE ANTIGEN AND THE ABSORBING MEMBRANE CHIRON CORPORATION 2004-11-30 US disclosed
US-6407072-B1 PROTEIN KINASE C INHIBITOR FIDIA S.P.A. (IT) 2002-06-18 US disclosed
EP-0410883-B1 Di-lysogangliosides derivatives FIDIA SPA (IT) 1999-03-31 EP disclosed
US-4713374-A Ganglioside derivatives FIDIA, S.P.A. (IT) 1987-12-15 US disclosed
US-4639437-A NERVOUS SYSTEM DISORDERS FIDIA, S.P.A. (IT) 1987-01-27 US disclosed
EP-0072722-B1 A METHOD FOR PREPARING GANGLIOSIDE DERIVATIVES AND USE THEREOF IN PHARMACEUTICAL COMPOSITIONS FIDIA S.p.A. (IT) 1986-06-04 EP disclosed
US-4593091-A Ion exchanging; forming lactonic bond FIDIA, S.P.A. (IT) 1986-06-03 US disclosed
EP-0167449-A2 New ganglioside derivatives FIDIA S.p.A. (IT) 1986-01-08 EP disclosed
EP-0145209-A2 A kit or device and method for administering gangliosides and derivatives thereof of inhalation and pharmaceutical compositions suitable therefor FIDIA S.p.A. (IT) 1985-06-19 EP disclosed
EP-0072722-A2 A method for preparing ganglioside derivatives and use thereof in pharmaceutical compositions FIDIA S.p.A. (IT) 1983-02-23 EP disclosed
EP-0072286-A1 Organic amide compounds derived from nitrogenous lipids FIDIA S.p.A. (IT) 1983-02-16 EP 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-20100080823-A1 Use of hyaluronic acid polymers for mucosal delivery of vaccine antigens and adjuvants MUC1, CD44, ST3GAL3 SIGMAR1 4135/4885TAAR1 3879/4885SLC6A2 4017/4885
US-20050226937-A1 Use of hyaluronic acid polymers for mucosal delivery of vaccine and adjuvants MUC1, CD44, ST3GAL3 SIGMAR1 4074/4885TAAR1 3864/4885SLC6A2 3929/4885

“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.