SCHEMBL599314

SCHEMBL599314

CCC1CCc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
HTR1A P08908 3/20 0.51
PLAU P00749 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
GRIN2B Q13224 1/20 0.43

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
SCHEMBL2929686 0.84 DRD3 (0.48) CYP19A1HTR1ASIGMAR1
SCHEMBL9139949 0.84 HTR1A (0.53) CYP19A1HTR1APLAUSIGMAR1MTNR1A
SCHEMBL2070610 0.83 CYP19A1 (0.54) CYP19A1HTR1APLAUSIGMAR1MAOA
SCHEMBL10616682 0.81 GBA1 (0.52) CYP19A1HTR1APLAUSIGMAR1MTNR1A
SCHEMBL28334724 0.81 CYP19A1 (0.38) CYP19A1HTR1ASIGMAR1ADRA1DADRA1A
SCHEMBL28012406 0.80 CA1 (0.53) CYP19A1HTR1APLAUSIGMAR1OPRM1
SCHEMBL6734633 0.80 CYP19A1 (0.47) CYP19A1HTR1APLAUSIGMAR1MTNR1A
SCHEMBL1689673 0.80 CYP19A1 (0.47) CYP19A1HTR1APLAUSIGMAR1MTNR1A
SCHEMBL24258319 0.80 ADRA1D (0.57) CYP19A1HTR1ASIGMAR1MTNR1AMTNR1B
SCHEMBL11076774 0.80 GBA1 (0.55) CYP19A1HTR1APLAUSIGMAR1MTNR1A

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
JP-63002942-A None JP disclosed
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
US-9394260-B2 Pyrimidinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-19 US disclosed
US-20150361052-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-12-17 US 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
WO-2008136642-A1 NAPHTHOQUINONE-BASED PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF DISEASES INVOLVING OBESITY, DIABETES, METABOLIC SYNDROME, NEURO-DEGENERATIVE DISEASES AND MITOCHONDRIA DYSFUNCTION DISEASES MAZENCE INC. (KR) 2008-11-13 WO disclosed
EP-1379602-B1 PROCESS FOR THE MANUFACTURE OF TEMPERATURE-SENSITIVE POLYMERS SOLUTIA INC (US) 2008-11-05 EP disclosed
US-20040162408-A1 PROCESS FOR THE MANUFACTURE OF TEMPERATURE-SENSITIVE POLYMERS SOLUTIA INC. (US) 2004-08-19 US disclosed
EP-1379602-A1 PROCESS FOR THE MANUFACTURE OF TEMPERATURE-SENSITIVE POLYMERS Solutia Inc. (US) 2004-01-14 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-2003051306-A2 N4-ACYLCYTOSINE-1,3-DIOXOLANE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
US-20020165421-A1 Process for the manufacture of temperature-sensitive polymers SOLUTIA INC. 2002-11-07 US disclosed
WO-2002083812-A1 PROCESS FOR THE MANUFACTURE OF TEMPERATURE-SENSITIVE POLYMERS SOLUTIA INC. (US) 2002-10-24 WO disclosed
JP-S632942-A PRODUCTION OF ALKYL, FORMYLTETRALIN SUMIKIN CHEM CO LTD 1988-01-07 JP 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 (5 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-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP CYP19A1 3276/4885HTR1A 3737/4885PLAU 2518/4885
US-20150361052-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, PNLIP CYP19A1 579/4885HTR1A 1946/4885PLAU 250/4885
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 CYP19A1 911/4885HTR1A 3521/4885PLAU 3379/4885
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 CYP19A1 1041/4885HTR1A 2750/4885PLAU 2755/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B CYP19A1 3097/4885HTR1A 3868/4885PLAU 2722/4885

“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.