SCHEMBL599002

SCHEMBL599002

CCc1cc(C)ccc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
LMNA P02545 1/20 0.52
CHRM1 P11229 1/20 0.52
SLC6A2 P23975 1/20 0.52
ADRA1A P35348 1/20 0.52
HTR2B P41595 1/20 0.52
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SRC P12931 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LPAR1 Q92633 1/20 0.38

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
SCHEMBL31190191 1.00 TRPA1 (0.52) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL16479959 0.83 LMNA (0.39) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL16479960 0.83 TRPA1 (0.39) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL17373678 0.83 TSHR (0.39) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL3182759 0.83 TRPA1 (0.47) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL11994518 0.81 TRPA1 (0.55) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL20543189 0.81 TRPA1 (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL21727636 0.81 TRPA1 (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL3849204 0.81 SLC6A2 (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL28693586 0.81 SRC (0.41) TRPA1LMNACHRM1SLC6A2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106946729-B A kind of preparation method of L- N-Ethyl-p-menthane-3-carboxamide class compound 万华化学集团股份有限公司 2018-10-16 CN disclosed
CN-106946729-A A kind of preparation method of L amide of mint class compound 万华化学集团股份有限公司 2017-07-14 CN disclosed
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-8114997-B2 N4-acylcytosine nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2012-02-14 US disclosed
US-RE42015-E1 N4-acylcytosine-1,3-dioxolane nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2010-12-28 US disclosed
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2009-07-09 US disclosed
EP-1569652-A4 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET INC (US) 2008-07-02 EP disclosed
US-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections GILEAD PHARMASSET LLC 2007-04-05 US disclosed
US-7105527-B2 N4-acylcytosine nucleosides for treatment of viral infections GILEAD PHARMASSET LLC 2006-09-12 US disclosed
EP-1461041-A4 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD (BB) 2006-03-29 EP disclosed
EP-1569652-A2 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS Pharmasset Ltd. (BB) 2005-09-07 EP disclosed
US-6908924-B2 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts PHARMASSET, INC. (US) 2005-06-21 US disclosed
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections GILEAD PHARMASSET LLC 2004-10-28 US disclosed
EP-1461041-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES Pharmasset Ltd. (BB) 2004-09-29 EP disclosed
US-20030176319-A1 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts GILEAD PHARMASSET LLC 2003-09-18 US disclosed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 US disclosed
WO-2003063771-A2 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET LTD. (BB) 2003-08-07 WO disclosed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
WO-2003051306-A2 N4-ACYLCYTOSINE-1,3-DIOXOLANE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 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-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections ENTPD5, DUT, NT5C3B TRPA1 4883/4885LMNA 2744/4885CHRM1 3739/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP TRPA1 4882/4885LMNA 2515/4885CHRM1 3885/4885
US-20030176319-A1 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts ENTPD5, CDA, ADA TRPA1 4819/4885LMNA 2607/4885CHRM1 2358/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP TRPA1 4883/4885LMNA 2283/4885CHRM1 3494/4885
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde DERA, DPYD, DHPS TRPA1 3853/4885LMNA 2068/4885CHRM1 3614/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B TRPA1 4883/4885LMNA 2835/4885CHRM1 3609/4885

“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.