SCHEMBL6405866

SCHEMBL6405866

Cc1cccc(CN)c1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
PNMT P11086 2/20 0.43
MPO P05164 1/20 0.42
KIF11 P52732 1/20 0.40
ACHE P22303 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.37
DPP4 P27487 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
CD44 P16070 1/20 0.36
RPS6KA1 Q15418 1/20 0.35
HTR2A P28223 1/20 0.35
MAOB P27338 1/20 0.35
TSHR P16473 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL23536662 0.85 TAAR1 (0.63) TAAR1MPOKIF11HTR2A
SCHEMBL10351893 0.81 TAAR1 (0.48) TAAR1MPOKIF11ACHEHTR2A
SCHEMBL170934 0.81 GABRA1 (0.46) TAAR1MPOACHECYP1A2CYP2A6
SCHEMBL3411604 0.81 LOXL2 (0.37) TAAR1PNMTKIF11LOXL2HTR2A
SCHEMBL13180051 0.81 MPO (0.39) TAAR1MPOKIF11ACHECYP1A2
SCHEMBL15787168 0.80 TAAR1 (0.47) TAAR1MPOKIF11ACHEHTR2A
SCHEMBL8343195 0.79 MPO (0.38) TAAR1MPOKIF11ACHECYP1A2
SCHEMBL1145716 0.79 PDCD1 (0.44) TAAR1MPOACHECYP1A2CYP2A6
SCHEMBL4428644 0.79 MPO (0.38) TAAR1MPOKIF11ACHECYP1A2
SCHEMBL172634 0.79 MPO (0.38) TAAR1MPOKIF11ACHECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609868-B1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS RAQUALIA PHARMA INC (JP) 2023-10-18 EP disclosed
EP-4122935-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2023-01-25 EP disclosed
US-11548901-B2 Substituted 1,4-methanopyrido[1′,2′:4,5]pyrazino[1,2-a]pyrimidines for treating viral infections GILEAD SCIENCES, INC. (US) 2023-01-10 US disclosed
EP-3608325-B1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2022-07-06 EP disclosed
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 EP disclosed
EP-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 EP disclosed
WO-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
US-20210053988-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2021-02-25 US disclosed
US-10689399-B2 Substituted 3,4,5,6,8,10,14,14a-octahydro-2h-2,6-methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazocines and methods for treating viral infections GILEAD SCIENCES, INC. (US) 2020-06-23 US disclosed
EP-3608325-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2020-02-12 EP disclosed
US-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2014-09-11 US disclosed
US-20140221356-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2014-08-07 US disclosed
EP-2615086-A1 2,4-Diaminoquinazolines for the treatment of spinal muscular atrophy Families of Spinal Muscular Atrophy (US) 2013-07-17 EP disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 US disclosed
WO-2012125746-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS INC. (US) 2012-09-20 WO disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 US disclosed
US-20100227884-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-09 US disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 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 (7 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-10689399-B2 Substituted 3,4,5,6,8,10,14,14a-octahydro-2h-2,6-methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazocines and methods for treating viral infections PYM1, ZYX, XDH TAAR1 1979/4885PNMT 1683/4885MPO 511/4885
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B TAAR1 4809/4885PNMT 3193/4885MPO 1358/4885
US-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS PIM1, PIM3, PIM2 TAAR1 4834/4885PNMT 4030/4885MPO 4044/4885
US-20100227884-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME NAAA, ATL3, ACSL5 TAAR1 583/4885PNMT 333/4885MPO 2814/4885
US-20210053988-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L TAAR1 4669/4885PNMT 2392/4885MPO 2745/4885
US-20140221356-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L TAAR1 4669/4885PNMT 2392/4885MPO 2745/4885
US-11548901-B2 Substituted 1,4-methanopyrido[1′,2′:4,5]pyrazino[1,2-a]pyrimidines for treating viral infections PYM1, XDH, CYP2S1 TAAR1 1756/4885PNMT 2292/4885MPO 1888/4885

“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.