SCHEMBL445874

SCHEMBL445874

C1=Cc2cnccc2[N]C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL442201 0.83 CHRNB2 (0.31) CHRNB2CHRNA4SIGMAR1
SCHEMBL9298 0.71 TRPA1 (0.33) —
SCHEMBL19445110 0.69 TDP1 (0.33) —
SCHEMBL24061467 0.69 CHRNB2 (0.31) CHRNB2CHRNA4
SCHEMBL2472934 0.67 CLK1 (0.36) —
SCHEMBL71577 0.67 — —
SCHEMBL20470466 0.67 SIGMAR1 (0.33) CHRNB2CHRNA4SIGMAR1
SCHEMBL4624522 0.65 — —
SCHEMBL22898199 0.63 CYP19A1 (0.36) —
SCHEMBL29787065 0.62 GAA (0.32) CHRNB2CHRNA4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-10-06 — — US claimed
WO-2010077740-A2 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2010-07-08 — — WO claimed
CN-101693672-B Peptidomimetic protease inhibitors VERTEX PHARMA 2014-11-12 — — CN disclosed
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 — — US disclosed
CN-101538246-B Pyrimidine amide compounds as PGDS inhibitors AVENTIS PHARMA INC 2014-07-16 — — CN disclosed
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 — — EP disclosed
EP-1958956-B1 Peptidomimetic protease inhibitors VERTEX PHARMA (US) 2013-12-11 — — EP disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 — — US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 — — US disclosed
CN-101646656-B Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI AVENTIS SPA 2013-08-14 — — CN disclosed
CN-103232381-A Peptidomimetic protease inhibitors VERTEX PHARMA 2013-08-07 — — CN disclosed
WO-2001081310-A1 1-AROYL-PIPERIDINYL BENZAMIDINES AVENTIS PHARMACEUTICALS INC. (US) 2001-11-01 — — WO disclosed
EP-1144367-A1 ALPHA-SUBSTITUTION OF UNPROTECTED BETA-AMINO ESTER COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-10-17 — — EP disclosed
WO-2001066098-A2 THERAPEUTIC USES OF PPAR MEDIATORS AVENTIS PHARMA DEUTSCHLAND GMBH 2001-09-13 — — WO disclosed
US-6277865-B1 ANTICOAGULANTS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-08-21 — — US disclosed
EP-1089988-A1 FLUOROPHENYL RESIN COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-04-11 — — EP disclosed
WO-2001010799-A1 METHODS FOR PREPARING N-[(ALIPHATIC OR AROMATIC)CARBONYL)]-2-AMINOACETAMIDE COMPOUNDS AND FOR CYCLIZING SUCH COMPOUNDS AVENTIS PHARMACEUTICAL PRODUCTS INC. (US) 2001-02-15 — — WO disclosed
US-6133409-A REACTING A SOLID SUPPORT-BOUND N-ALKYLATED HYDROXAMIC ACID WITH A CARBON-NITROGEN CLEAVING ORGANOMETALLIC COMPUND TO LIBERATE THE PRODUCT KETONE AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-10-17 — — US disclosed
WO-2000040547-A1 α-SUBSTITUTION OF UNPROTECTED β-AMINO ESTER COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-13 — — WO disclosed
WO-1999067228-A1 FLUOROPHENYL RESIN COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-29 — — WO 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD CHRNB2 4869/4885CHRNA4 4883/4885SIGMAR1 1810/4885
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE DDX5, SAMHD1, EIF2AK2 CHRNB2 4719/4885CHRNA4 4705/4885SIGMAR1 1604/4885

“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.

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